| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.3 | Very low | 70.3 | Confident | 230 Ų | 230 | 73.5 Ų | 73.5 | 100% | 1.133 | 39% | 0.393 | S | S | * | . | 0 | 119.2 | 0 | -72.4 | 172.5 | -177.5 | 0 | 0 | 105.4 | |||||
| 2 | T | 47.1 | Very low | 72.4 | Confident | 89 Ų | 89 | 69.8 Ų | 69.8 | 55% | 0.546 | 37% | 0.372 | S | S | . | . | trans | -62.6 | 147.4 | -177.4 | 44.1 | 0 | 0 | 0 | 0 | 109.6 | N4 N5 | T2-N4 PolarHBondContact O-N 3.49Å; T2-N5 PolarHBondContact O-N 3.17Å; T2-N5 VanDerWaalsContact O-N 3.08Å | ||
| 3 | E | 55.4 | Low | 74.1 | Confident | 139 Ų | 139 | 67.5 Ų | 67.5 | 65% | 0.65 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -50.9 | -30.1 | 178.8 | -68.4 | -178.5 | 165.3 | 0 | 0 | 112.3 | N6 | E3-N6 WeakPolarHBondContact O-CB 3.41Å; E3-N6 PolarHBondContact O-N 3.3Å |
| 4 | N | 54.8 | Low | 75.6 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 20% | 0.198 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.9 | -36.4 | -179.5 | -64.5 | -12.9 | 0 | 0 | 0 | 114.1 | T2 N6 L7 D80 | T2-N4 PolarHBondContact O-N 3.49Å; N4-N6 PolarHBondContact O-N 3.08Å; N4-N6 VanDerWaalsContact O-N 3.16Å; N4-L7 PolarHBondContact O-N 2.77Å; N4-L7 VanDerWaalsContact O-N 3.08Å; N4-D80 PolarHBondContact ND2-OD2 2.94Å |
| 5 | N | 55.4 | Low | 77 | Confident | 75 Ų | 75 | 60.4 Ų | 60.4 | 40% | 0.401 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.8 | -22.9 | 173.2 | -87.2 | 9.4 | 0 | 0 | 0 | 111.8 | T2 T9 | T2-N5 PolarHBondContact O-N 3.17Å; T2-N5 VanDerWaalsContact O-N 3.08Å; N5-T9 PolarHBondContact O-OG1 2.94Å |
| 6 | N | 77.6 | Confident | 78.3 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.7 | -34.4 | 176.6 | -160 | 1.9 | 0 | 0 | 0 | 111.7 | E3 N4 S10 | E3-N6 WeakPolarHBondContact O-CB 3.41Å; E3-N6 PolarHBondContact O-N 3.3Å; N4-N6 PolarHBondContact O-N 3.08Å; N4-N6 VanDerWaalsContact O-N 3.16Å; N6-S10 WeakPolarHBondContact O-CB 3.25Å; N6-S10 PolarHBondContact O-N 3.39Å |
| 7 | L | 83.3 | Confident | 79.4 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.1 | -46.1 | -176.3 | -67.1 | 176.9 | 0 | 0 | 0 | 113.2 | N4 T11 A86 W90 | N4-L7 PolarHBondContact O-N 2.77Å; N4-L7 VanDerWaalsContact O-N 3.08Å; L7-T11 WeakPolarHBondContact O-CB 3.44Å; L7-T11 PolarHBondContact O-N 2.92Å; L7-T11 PolarHBondContact O-OG1 3.25Å; L7-A86 HydrophobicContact CB-CB 4.25Å; L7-W90 HydrophobicContact CD2-CH2 4.16Å; L7-W90 HydrophobicContact CD2-CZ2 4.42Å |
| 8 | V | 89.7 | Confident | 80.4 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -52.1 | 178 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | S10 T11 Q12 E82 K85 A86 M89 | V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 3.1Å; V8-T11 PolarHBondContact O-N 3.22Å; V8-Q12 HydrophobicContact CG1-CG 4.24Å; V8-Q12 WeakPolarHBondContact O-CB 3.48Å; V8-Q12 WeakPolarHBondContact O-CG 3.34Å; V8-Q12 PolarHBondContact O-N 3.03Å; V8-E82 HydrophobicContact CG2-CB 3.95Å; V8-E82 WeakPolarHBondContact CG2-O 3.2Å; V8-K85 HydrophobicContact CG2-CB 4.41Å; V8-A86 HydrophobicContact CG2-CB 3.78Å; V8-M89 HydrophobicContact CG1-CE 4.38Å |
| 9 | T | 91.1 | Very high | 81.4 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 55% | 0.546 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | -177.4 | -49.3 | 0 | 0 | 0 | 0 | 111.7 | N5 Q12 G13 | N5-T9 PolarHBondContact O-OG1 2.94Å; T9-Q12 PolarHBondContact O-N 3.44Å; T9-G13 PolarHBondContact O-N 3.36Å |
| 10 | S | 89.7 | Confident | 82.1 | Confident | 31 Ų | 31 | 56.8 Ų | 56.8 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | N6 V8 Q12 G13 I14 P321 | N6-S10 WeakPolarHBondContact O-CB 3.25Å; N6-S10 PolarHBondContact O-N 3.39Å; V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 3.1Å; S10-Q12 PolarHBondContact O-N 3.03Å; S10-G13 PolarHBondContact O-N 2.98Å; S10-I14 WeakPolarHBondContact O-CG1 3.41Å; S10-I14 PolarHBondContact O-N 2.68Å; S10-P321 WeakPolarHBondContact OG-CG 3.42Å |
| 11 | T | 92.8 | Very high | 82.8 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | L7 V8 G13 I14 I15 M89 W90 Y397 | L7-T11 WeakPolarHBondContact O-CB 3.44Å; L7-T11 PolarHBondContact O-N 2.92Å; L7-T11 PolarHBondContact O-OG1 3.25Å; V8-T11 PolarHBondContact O-N 3.22Å; T11-G13 VanDerWaalsContact C-N 3.31Å; T11-G13 PolarHBondContact O-N 3.32Å; T11-I14 PolarHBondContact O-N 3.24Å; T11-I15 HydrophobicContact CG2-CD1 3.86Å; T11-I15 HydrophobicContact CG2-CG1 4.42Å; T11-I15 WeakPolarHBondContact O-CB 3.43Å; T11-I15 WeakPolarHBondContact O-CG1 3.38Å; T11-I15 PolarHBondContact O-N 2.81Å; T11-M89 HydrophobicContact CG2-CB 4.01Å; T11-M89 HydrophobicContact CG2-SD 3.96Å; T11-W90 PolarHBondContact OG1-NE1 3.37Å; T11-Y397 HydrophobicContact CG2-CE1 4.21Å |
| 12 | Q | 95.4 | Very high | 85.7 | Confident | 28 Ų | 28 | 48.9 Ų | 48.9 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 176.3 | -75.8 | 175 | -18.8 | 0 | 0 | 111.9 | V8 T9 S10 I15 K16 Y29 K33 E34 M89 | V8-Q12 HydrophobicContact CG1-CG 4.24Å; V8-Q12 WeakPolarHBondContact O-CB 3.48Å; V8-Q12 WeakPolarHBondContact O-CG 3.34Å; V8-Q12 PolarHBondContact O-N 3.03Å; T9-Q12 PolarHBondContact O-N 3.44Å; S10-Q12 PolarHBondContact O-N 3.03Å; Q12-I15 PolarHBondContact O-N 3.19Å; Q12-K16 WeakPolarHBondContact O-CB 3.16Å; Q12-K16 PolarHBondContact O-N 3.39Å; Q12-Y29 WeakPolarHBondContact O-CE2 3.35Å; Q12-K33 HydrophobicContact CG-CB 4.35Å; Q12-K33 PolarHBondContact NE2-O 3.21Å; Q12-E34 PolarHBondContact NE2-OE1 3.2Å; Q12-E34 VanDerWaalsContact NE2-OE1 3.1Å; Q12-M89 HydrophobicContact CG-CE 4.34Å; Q12-M89 HydrophobicContact CG-SD 4.4Å |
| 13 | G | 94.8 | Very high | 88 | Confident | 41 Ų | 41 | 48 Ų | 48 | 42% | 0.423 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T9 S10 T11 K16 E17 | T9-G13 PolarHBondContact O-N 3.36Å; S10-G13 PolarHBondContact O-N 2.98Å; T11-G13 VanDerWaalsContact C-N 3.31Å; T11-G13 PolarHBondContact O-N 3.32Å; G13-K16 WeakPolarHBondContact O-CB 3.19Å; G13-K16 PolarHBondContact O-N 3.32Å; G13-E17 PolarHBondContact O-N 2.84Å; G13-E17 VanDerWaalsContact O-N 3.14Å |
| 14 | I | 95 | Very high | 90 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 14% | 0.138 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.2 | -39.5 | 179.4 | -54.8 | 170.3 | 0 | 0 | 0 | 110.9 | S10 T11 K16 E17 A18 L394 Y397 | S10-I14 WeakPolarHBondContact O-CG1 3.41Å; S10-I14 PolarHBondContact O-N 2.68Å; T11-I14 PolarHBondContact O-N 3.24Å; I14-K16 VanDerWaalsContact C-N 3.32Å; I14-K16 PolarHBondContact O-N 2.94Å; I14-E17 PolarHBondContact O-N 3.48Å; I14-A18 WeakPolarHBondContact O-CB 3.21Å; I14-A18 PolarHBondContact O-N 3.25Å; I14-L394 HydrophobicContact CG2-CD1 4.05Å; I14-Y397 HydrophobicContact CB-CD1 3.69Å; I14-Y397 HydrophobicContact CB-CE1 3.71Å; I14-Y397 HydrophobicContact CB-CG 4.4Å; I14-Y397 HydrophobicContact CD1-CE1 4.37Å; I14-Y397 HydrophobicContact CG2-CD1 3.27Å; I14-Y397 HydrophobicContact CG2-CD2 4.13Å; I14-Y397 HydrophobicContact CG2-CE1 3.71Å; I14-Y397 HydrophobicContact CG2-CG 3.5Å; I14-Y397 VanDerWaalsContact CG2-CG 3.5Å |
| 15 | I | 97 | Very high | 92 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 174.3 | -75.6 | 176.2 | 0 | 0 | 0 | 110.9 | T11 Q12 E17 A18 L19 Y29 I32 M89 Y397 | T11-I15 HydrophobicContact CG2-CD1 3.86Å; T11-I15 HydrophobicContact CG2-CG1 4.42Å; T11-I15 WeakPolarHBondContact O-CB 3.43Å; T11-I15 WeakPolarHBondContact O-CG1 3.38Å; T11-I15 PolarHBondContact O-N 2.81Å; Q12-I15 PolarHBondContact O-N 3.19Å; I15-E17 PolarHBondContact O-N 2.88Å; I15-A18 PolarHBondContact O-N 2.87Å; I15-L19 HydrophobicContact CG2-CD1 3.92Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CG 3.24Å; I15-L19 PolarHBondContact O-N 3.3Å; I15-Y29 HydrophobicContact CG2-CD2 4.48Å; I15-I32 HydrophobicContact CG2-CG2 3.74Å; I15-M89 HydrophobicContact CD1-CB 4.27Å; I15-M89 HydrophobicContact CD1-SD 4.46Å; I15-Y397 HydrophobicContact CG1-CD1 3.93Å; I15-Y397 HydrophobicContact CG1-CE1 4.13Å |
| 16 | K | 97.7 | Very high | 93.9 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 27% | 0.274 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 177.2 | -172.9 | 170.2 | 174.7 | 138.7 | 0 | 111.2 | Q12 G13 I14 A18 L19 H20 E26 Y29 | Q12-K16 WeakPolarHBondContact O-CB 3.16Å; Q12-K16 PolarHBondContact O-N 3.39Å; G13-K16 WeakPolarHBondContact O-CB 3.19Å; G13-K16 PolarHBondContact O-N 3.32Å; I14-K16 VanDerWaalsContact C-N 3.32Å; I14-K16 PolarHBondContact O-N 2.94Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 2.72Å; K16-L19 PolarHBondContact O-N 3.47Å; K16-H20 VanDerWaalsContact CE-CE1 3.44Å; K16-H20 WeakPolarHBondContact CE-CE1 3.46Å; K16-H20 PolarHBondContact O-N 2.81Å; K16-E26 WeakPolarHBondContact CE-OE1 3.46Å; K16-E26 IonicContact NZ-OE1 2.76Å; K16-E26 PolarHBondContact NZ-OE1 3.42Å; K16-E26 IonicContact NZ-OE2 2.73Å; K16-E26 PolarHBondContact NZ-OE2 3.17Å; K16-Y29 HydrophobicContact CB-CD2 3.71Å; K16-Y29 HydrophobicContact CB-CE1 4.48Å; K16-Y29 HydrophobicContact CB-CE2 3.48Å; K16-Y29 VanDerWaalsContact CB-CE2 3.48Å; K16-Y29 HydrophobicContact CB-CG 4.31Å; K16-Y29 HydrophobicContact CD-CD1 4.04Å; K16-Y29 HydrophobicContact CD-CE1 3.74Å; K16-Y29 HydrophobicContact CD-CE2 4.28Å; K16-Y29 HydrophobicContact CD-CG 4.43Å; K16-Y29 HydrophobicContact CG-CD1 4.18Å; K16-Y29 HydrophobicContact CG-CD2 3.98Å; K16-Y29 HydrophobicContact CG-CE1 4.21Å; K16-Y29 HydrophobicContact CG-CE2 4.02Å; K16-Y29 HydrophobicContact CG-CG 4.06Å |
| 17 | E | 97.2 | Very high | 94.8 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 41% | 0.407 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 178.3 | -175.2 | 174 | 178.8 | 0 | 0 | 111.9 | G13 I14 I15 L19 H20 K21 L394 | G13-E17 PolarHBondContact O-N 2.84Å; G13-E17 VanDerWaalsContact O-N 3.14Å; I14-E17 PolarHBondContact O-N 3.48Å; I15-E17 PolarHBondContact O-N 2.88Å; E17-L19 PolarHBondContact O-N 3.21Å; E17-H20 PolarHBondContact O-N 3.36Å; E17-K21 WeakPolarHBondContact O-CG 3.43Å; E17-K21 PolarHBondContact O-N 2.88Å; E17-K21 WeakPolarHBondContact OE1-CE 3.34Å; E17-K21 IonicContact OE1-NZ 2.7Å; E17-K21 PolarHBondContact OE1-NZ 3.35Å; E17-L394 HydrophobicContact CB-CD1 4.23Å; E17-L394 HydrophobicContact CG-CD1 4.03Å; E17-L394 HydrophobicContact CG-CD2 4.26Å; E17-L394 WeakPolarHBondContact OE1-CD2 3.41Å |
| 18 | A | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I14 I15 K16 K21 L22 L394 I398 I401 | I14-A18 WeakPolarHBondContact O-CB 3.21Å; I14-A18 PolarHBondContact O-N 3.25Å; I15-A18 PolarHBondContact O-N 2.87Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 2.72Å; A18-K21 PolarHBondContact O-N 2.73Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 2.97Å; A18-L22 VanDerWaalsContact O-N 3.11Å; A18-L394 HydrophobicContact CB-CD1 4.34Å; A18-I398 HydrophobicContact CB-CG1 3.83Å; A18-I401 HydrophobicContact CB-CG2 4.25Å |
| 19 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177 | -72.8 | 173 | 0 | 0 | 0 | 112 | I15 K16 E17 K21 L22 G23 F24 M28 Y29 I32 I401 A405 | I15-L19 HydrophobicContact CG2-CD1 3.92Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CG 3.24Å; I15-L19 PolarHBondContact O-N 3.3Å; K16-L19 PolarHBondContact O-N 3.47Å; E17-L19 PolarHBondContact O-N 3.21Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 3.06Å; L19-L22 CarbonylContact O-C 3.56Å; L19-L22 WeakPolarHBondContact O-CA 3.34Å; L19-L22 WeakPolarHBondContact O-CB 3.14Å; L19-L22 PolarHBondContact O-N 2.7Å; L19-L22 VanDerWaalsContact O-N 3.08Å; L19-G23 PolarHBondContact O-N 2.94Å; L19-F24 HydrophobicContact CB-CB 4.31Å; L19-F24 HydrophobicContact CD2-CB 4.39Å; L19-F24 HydrophobicContact CD2-CD2 4.07Å; L19-F24 HydrophobicContact CD2-CG 4.43Å; L19-F24 PolarHBondContact O-N 3.46Å; L19-M28 HydrophobicContact CD1-CG 4.38Å; L19-M28 HydrophobicContact CD2-CG 3.95Å; L19-Y29 HydrophobicContact CD1-CD2 4.23Å; L19-I32 HydrophobicContact CD1-CB 4.27Å; L19-I32 HydrophobicContact CD1-CD1 4.25Å; L19-I32 HydrophobicContact CD1-CG2 4.38Å; L19-I32 HydrophobicContact CD2-CD1 4.05Å; L19-I401 HydrophobicContact CD2-CG1 4.1Å; L19-I401 HydrophobicContact CD2-CG2 3.91Å; L19-I401 HydrophobicContact CG-CG2 4.32Å; L19-A405 HydrophobicContact CD2-CB 3.82Å |
| 20 | H | 97 | Very high | 96.1 | Very high | 80 Ų | 80 | 44.6 Ų | 44.6 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176 | -70.9 | -175 | 0 | 0 | 0 | 112 | K16 E17 L22 G23 E26 | K16-H20 VanDerWaalsContact CE-CE1 3.44Å; K16-H20 WeakPolarHBondContact CE-CE1 3.46Å; K16-H20 PolarHBondContact O-N 2.81Å; E17-H20 PolarHBondContact O-N 3.36Å; H20-L22 PolarHBondContact O-N 3.47Å; H20-G23 PolarHBondContact O-N 3.04Å; H20-E26 IonicContact CE1-OE1 3.65Å; H20-E26 PolarHBondContact CE1-OE1 2.73Å; H20-E26 IonicContact NE2-OE1 3.59Å; H20-E26 PolarHBondContact NE2-OE1 2.76Å |
| 21 | K | 96.5 | Very high | 96.4 | Very high | 77 Ų | 77 | 45 Ų | 45 | 34% | 0.335 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69 | -15.8 | 175.3 | -70.5 | -161.1 | -150.9 | -66.3 | 0 | 114.1 | E17 A18 L19 R388 L394 I398 | E17-K21 WeakPolarHBondContact O-CG 3.43Å; E17-K21 PolarHBondContact O-N 2.88Å; E17-K21 WeakPolarHBondContact OE1-CE 3.34Å; E17-K21 IonicContact OE1-NZ 2.7Å; E17-K21 PolarHBondContact OE1-NZ 3.35Å; A18-K21 PolarHBondContact O-N 2.73Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 3.06Å; K21-R388 PolarHBondContact O-NH1 3.07Å; K21-L394 HydrophobicContact CD-CD2 4.4Å; K21-I398 HydrophobicContact CB-CD1 4.15Å; K21-I398 HydrophobicContact CD-CD1 3.98Å |
| 22 | L | 96.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 45 Ų | 45 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7 | 170.4 | -73.9 | 167.9 | 0 | 0 | 0 | 112.7 | A18 L19 H20 F24 I398 I401 K402 | A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 2.97Å; A18-L22 VanDerWaalsContact O-N 3.11Å; L19-L22 CarbonylContact O-C 3.56Å; L19-L22 WeakPolarHBondContact O-CA 3.34Å; L19-L22 WeakPolarHBondContact O-CB 3.14Å; L19-L22 PolarHBondContact O-N 2.7Å; L19-L22 VanDerWaalsContact O-N 3.08Å; H20-L22 PolarHBondContact O-N 3.47Å; L22-F24 HydrophobicContact CB-CD2 3.58Å; L22-F24 HydrophobicContact CB-CE2 3.85Å; L22-F24 HydrophobicContact CD1-CD2 4.36Å; L22-F24 HydrophobicContact CD1-CE2 4.27Å; L22-I398 HydrophobicContact CD1-CG2 4.36Å; L22-I398 HydrophobicContact CD2-CG2 3.73Å; L22-I398 HydrophobicContact CG-CG2 3.93Å; L22-I401 HydrophobicContact CD1-CG2 3.84Å; L22-K402 HydrophobicContact CD1-CB 3.89Å; L22-K402 HydrophobicContact CD1-CG 4.46Å; L22-K402 HydrophobicContact CD2-CB 4.14Å; L22-K402 HydrophobicContact CD2-CD 4.07Å; L22-K402 HydrophobicContact CD2-CG 4.04Å |
| 23 | G | 96.7 | Very high | 96.7 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 72% | 0.722 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 17.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L19 H20 | L19-G23 PolarHBondContact O-N 2.94Å; H20-G23 PolarHBondContact O-N 3.04Å |
| 24 | F | 97.2 | Very high | 96.7 | Very high | 29 Ų | 29 | 48 Ų | 48 | 13% | 0.127 | 26% | 0.258 | C | S | . | . | trans | -84 | 152.3 | 169.3 | -67.6 | -77.9 | 0 | 0 | 0 | 110.8 | L19 L22 M28 A405 E406 | L19-F24 HydrophobicContact CB-CB 4.31Å; L19-F24 HydrophobicContact CD2-CB 4.39Å; L19-F24 HydrophobicContact CD2-CD2 4.07Å; L19-F24 HydrophobicContact CD2-CG 4.43Å; L19-F24 PolarHBondContact O-N 3.46Å; L22-F24 HydrophobicContact CB-CD2 3.58Å; L22-F24 HydrophobicContact CB-CE2 3.85Å; L22-F24 HydrophobicContact CD1-CD2 4.36Å; L22-F24 HydrophobicContact CD1-CE2 4.27Å; F24-M28 HydrophobicContact CB-CB 3.83Å; F24-M28 HydrophobicContact CB-CG 3.9Å; F24-M28 HydrophobicContact CD1-CB 4.18Å; F24-M28 HydrophobicContact CD1-CE 3.8Å; F24-M28 HydrophobicContact CD1-CG 3.87Å; F24-M28 HydrophobicContact CE1-CE 3.84Å; F24-M28 HydrophobicContact CG-CB 4.28Å; F24-M28 HydrophobicContact CG-CG 3.91Å; F24-A405 HydrophobicContact CD1-CB 4.43Å; F24-A405 HydrophobicContact CD2-CB 3.93Å; F24-A405 HydrophobicContact CE1-CB 4.04Å; F24-A405 HydrophobicContact CE2-CB 3.5Å; F24-A405 HydrophobicContact CG-CB 4.39Å; F24-A405 HydrophobicContact CZ-CB 3.57Å; F24-E406 HydrophobicContact CZ-CG 4.1Å | ||
| 25 | D | 95.3 | Very high | 96.9 | Very high | 96 Ų | 96 | 47.6 Ų | 47.6 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | trans | -91.9 | -177 | -178.7 | 64.4 | 19 | 0 | 0 | 0 | 112.7 | G27 M28 Y29 | D25-G27 PolarHBondContact O-N 2.98Å; D25-G27 WeakPolarHBondContact OD1-CA 3.44Å; D25-G27 PolarHBondContact OD1-N 2.72Å; D25-M28 PolarHBondContact O-N 3.27Å; D25-M28 PolarHBondContact OD1-N 3.13Å; D25-M28 VanDerWaalsContact OD1-N 3.13Å; D25-Y29 PolarHBondContact O-N 3.42Å | ||
| 26 | E | 96 | Very high | 96.9 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.1 | -22.5 | 178.4 | -66.8 | -72.1 | 166.9 | 0 | 0 | 112.9 | K16 H20 Y29 D30 | K16-E26 WeakPolarHBondContact CE-OE1 3.46Å; K16-E26 IonicContact NZ-OE1 2.76Å; K16-E26 PolarHBondContact NZ-OE1 3.42Å; K16-E26 IonicContact NZ-OE2 2.73Å; K16-E26 PolarHBondContact NZ-OE2 3.17Å; H20-E26 IonicContact CE1-OE1 3.65Å; H20-E26 PolarHBondContact CE1-OE1 2.73Å; H20-E26 IonicContact NE2-OE1 3.59Å; H20-E26 PolarHBondContact NE2-OE1 2.76Å; E26-Y29 PolarHBondContact O-N 2.93Å; E26-D30 WeakPolarHBondContact O-CB 3.04Å; E26-D30 PolarHBondContact O-N 3.25Å |
| 27 | G | 96.5 | Very high | 96.9 | Very high | 40 Ų | 40 | 52 Ų | 52 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D25 Y29 D30 L31 | D25-G27 PolarHBondContact O-N 2.98Å; D25-G27 WeakPolarHBondContact OD1-CA 3.44Å; D25-G27 PolarHBondContact OD1-N 2.72Å; G27-Y29 VanDerWaalsContact C-N 3.32Å; G27-Y29 PolarHBondContact O-N 3.37Å; G27-D30 PolarHBondContact O-N 3.18Å; G27-L31 PolarHBondContact O-N 3.28Å; G27-L31 VanDerWaalsContact O-N 3.09Å |
| 28 | M | 97.6 | Very high | 97 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 171.8 | -175.4 | 60.6 | 69.6 | 0 | 0 | 111.9 | L19 F24 D25 L31 I32 A405 A408 R409 A414 | L19-M28 HydrophobicContact CD1-CG 4.38Å; L19-M28 HydrophobicContact CD2-CG 3.95Å; F24-M28 HydrophobicContact CB-CB 3.83Å; F24-M28 HydrophobicContact CB-CG 3.9Å; F24-M28 HydrophobicContact CD1-CB 4.18Å; F24-M28 HydrophobicContact CD1-CE 3.8Å; F24-M28 HydrophobicContact CD1-CG 3.87Å; F24-M28 HydrophobicContact CE1-CE 3.84Å; F24-M28 HydrophobicContact CG-CB 4.28Å; F24-M28 HydrophobicContact CG-CG 3.91Å; D25-M28 PolarHBondContact O-N 3.27Å; D25-M28 PolarHBondContact OD1-N 3.13Å; D25-M28 VanDerWaalsContact OD1-N 3.13Å; M28-L31 PolarHBondContact O-N 2.98Å; M28-L31 HydrophobicContact SD-CD2 4.35Å; M28-I32 HydrophobicContact CG-CD1 3.97Å; M28-I32 WeakPolarHBondContact O-CB 3.34Å; M28-I32 WeakPolarHBondContact O-CG1 3.25Å; M28-I32 PolarHBondContact O-N 2.66Å; M28-I32 VanDerWaalsContact O-N 3.12Å; M28-I32 HydrophobicContact SD-CD1 3.66Å; M28-I32 HydrophobicContact SD-CG1 4.27Å; M28-A405 HydrophobicContact CE-CB 4.31Å; M28-A405 VanDerWaalsContact CE-O 3.24Å; M28-A405 WeakPolarHBondContact CE-O 3.36Å; M28-A405 HydrophobicContact CG-CB 4.05Å; M28-A405 HydrophobicContact SD-CB 3.89Å; M28-A408 HydrophobicContact CE-CB 4.27Å; M28-A408 HydrophobicContact SD-CB 4.24Å; M28-R409 HydrophobicContact CE-CB 4.13Å; M28-A414 HydrophobicContact CE-CB 3.67Å; M28-A414 HydrophobicContact SD-CB 4.16Å |
| 29 | Y | 97.8 | Very high | 97 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 12% | 0.122 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 174.6 | 171.5 | -114.1 | 0 | 0 | 0 | 111.8 | Q12 I15 K16 L19 D25 E26 G27 L31 I32 K33 | Q12-Y29 WeakPolarHBondContact O-CE2 3.35Å; I15-Y29 HydrophobicContact CG2-CD2 4.48Å; K16-Y29 HydrophobicContact CB-CD2 3.71Å; K16-Y29 HydrophobicContact CB-CE1 4.48Å; K16-Y29 HydrophobicContact CB-CE2 3.48Å; K16-Y29 VanDerWaalsContact CB-CE2 3.48Å; K16-Y29 HydrophobicContact CB-CG 4.31Å; K16-Y29 HydrophobicContact CD-CD1 4.04Å; K16-Y29 HydrophobicContact CD-CE1 3.74Å; K16-Y29 HydrophobicContact CD-CE2 4.28Å; K16-Y29 HydrophobicContact CD-CG 4.43Å; K16-Y29 HydrophobicContact CG-CD1 4.18Å; K16-Y29 HydrophobicContact CG-CD2 3.98Å; K16-Y29 HydrophobicContact CG-CE1 4.21Å; K16-Y29 HydrophobicContact CG-CE2 4.02Å; K16-Y29 HydrophobicContact CG-CG 4.06Å; L19-Y29 HydrophobicContact CD1-CD2 4.23Å; D25-Y29 PolarHBondContact O-N 3.42Å; E26-Y29 PolarHBondContact O-N 2.93Å; G27-Y29 VanDerWaalsContact C-N 3.32Å; G27-Y29 PolarHBondContact O-N 3.37Å; Y29-L31 VanDerWaalsContact C-N 3.26Å; Y29-L31 PolarHBondContact O-N 3.43Å; Y29-I32 PolarHBondContact O-N 2.78Å; Y29-I32 VanDerWaalsContact O-N 3.13Å; Y29-K33 HydrophobicContact CD2-CB 4.14Å; Y29-K33 HydrophobicContact CE1-CB 4.4Å; Y29-K33 HydrophobicContact CE1-CD 4.02Å; Y29-K33 HydrophobicContact CE2-CB 3.66Å; Y29-K33 VanDerWaalsContact O-CB 3.3Å; Y29-K33 WeakPolarHBondContact O-CB 3.29Å; Y29-K33 WeakPolarHBondContact O-CG 3.36Å; Y29-K33 PolarHBondContact O-N 3.18Å |
| 30 | D | 96.9 | Very high | 97 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.1 | -36.1 | 178 | -164.5 | 66.4 | 0 | 0 | 0 | 112.3 | E26 G27 K33 | E26-D30 WeakPolarHBondContact O-CB 3.04Å; E26-D30 PolarHBondContact O-N 3.25Å; G27-D30 PolarHBondContact O-N 3.18Å; D30-K33 WeakPolarHBondContact O-CG 3.16Å; D30-K33 WeakPolarHBondContact OD1-CE 3.34Å; D30-K33 IonicContact OD1-NZ 2.72Å; D30-K33 PolarHBondContact OD1-NZ 3.28Å |
| 31 | L | 96.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.6 | -37.2 | 174.3 | 177 | 64.6 | 0 | 0 | 0 | 113.5 | G27 M28 Y29 L36 A408 W413 A414 | G27-L31 PolarHBondContact O-N 3.28Å; G27-L31 VanDerWaalsContact O-N 3.09Å; M28-L31 PolarHBondContact O-N 2.98Å; M28-L31 HydrophobicContact SD-CD2 4.35Å; Y29-L31 VanDerWaalsContact C-N 3.26Å; Y29-L31 PolarHBondContact O-N 3.43Å; L31-L36 HydrophobicContact CD1-CD2 4.05Å; L31-A408 HydrophobicContact CD2-CB 3.99Å; L31-W413 HydrophobicContact CD2-CB 3.82Å; L31-W413 HydrophobicContact CD2-CE3 4.28Å; L31-A414 HydrophobicContact CD2-CB 3.95Å |
| 32 | I | 96.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -95.2 | -20.5 | -171.7 | -70.5 | 178 | 0 | 0 | 0 | 112.6 | I15 L19 M28 Y29 E34 H62 I401 A405 | I15-I32 HydrophobicContact CG2-CG2 3.74Å; L19-I32 HydrophobicContact CD1-CB 4.27Å; L19-I32 HydrophobicContact CD1-CD1 4.25Å; L19-I32 HydrophobicContact CD1-CG2 4.38Å; L19-I32 HydrophobicContact CD2-CD1 4.05Å; M28-I32 HydrophobicContact CG-CD1 3.97Å; M28-I32 WeakPolarHBondContact O-CB 3.34Å; M28-I32 WeakPolarHBondContact O-CG1 3.25Å; M28-I32 PolarHBondContact O-N 2.66Å; M28-I32 VanDerWaalsContact O-N 3.12Å; M28-I32 HydrophobicContact SD-CD1 3.66Å; M28-I32 HydrophobicContact SD-CG1 4.27Å; Y29-I32 PolarHBondContact O-N 2.78Å; Y29-I32 VanDerWaalsContact O-N 3.13Å; I32-E34 PolarHBondContact O-N 3.12Å; I32-H62 PolarHBondContact O-NE2 3.35Å; I32-I401 HydrophobicContact CD1-CD1 4.16Å; I32-I401 HydrophobicContact CD1-CG1 4.01Å; I32-I401 HydrophobicContact CG2-CD1 3.65Å; I32-I401 HydrophobicContact CG2-CG1 4.02Å; I32-A405 HydrophobicContact CD1-CB 4.04Å |
| 33 | K | 96 | Very high | 97.3 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 27% | 0.265 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -67 | -17.4 | -176.2 | 67.5 | 176.8 | -177.7 | -170.7 | 0 | 113.8 | Q12 Y29 D30 M89 | Q12-K33 HydrophobicContact CG-CB 4.35Å; Q12-K33 PolarHBondContact NE2-O 3.21Å; Y29-K33 HydrophobicContact CD2-CB 4.14Å; Y29-K33 HydrophobicContact CE1-CB 4.4Å; Y29-K33 HydrophobicContact CE1-CD 4.02Å; Y29-K33 HydrophobicContact CE2-CB 3.66Å; Y29-K33 VanDerWaalsContact O-CB 3.3Å; Y29-K33 WeakPolarHBondContact O-CB 3.29Å; Y29-K33 WeakPolarHBondContact O-CG 3.36Å; Y29-K33 PolarHBondContact O-N 3.18Å; D30-K33 WeakPolarHBondContact O-CG 3.16Å; D30-K33 WeakPolarHBondContact OD1-CE 3.34Å; D30-K33 IonicContact OD1-NZ 2.72Å; D30-K33 PolarHBondContact OD1-NZ 3.28Å; K33-M89 WeakPolarHBondContact O-CE 3.04Å |
| 34 | E | 96.1 | Very high | 97.4 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -133 | 153.9 | 179.8 | -74.7 | -62.6 | 156.7 | 0 | 0 | 111 | Q12 I32 | Q12-E34 PolarHBondContact NE2-OE1 3.2Å; Q12-E34 VanDerWaalsContact NE2-OE1 3.1Å; I32-E34 PolarHBondContact O-N 3.12Å |
| 35 | P | 97.8 | Very high | 97.5 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | trans | -63.6 | 140.2 | 173.6 | -24.7 | 36.7 | 0 | 0 | 0 | 114.1 | R37 A60 H62 K85 | P35-R37 PolarHBondContact O-N 3.14Å; P35-A60 HydrophobicContact CG-CB 4.32Å; P35-H62 WeakPolarHBondContact CA-O 3.43Å; P35-K85 HydrophobicContact CG-CB 4.25Å; P35-K85 HydrophobicContact CG-CG 3.97Å | ||
| 36 | L | 98.1 | Very high | 97.6 | Very high | 60 Ų | 60 | 57 Ų | 57 | 31% | 0.314 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -54.3 | -36 | 171.7 | -70.6 | 178.4 | 0 | 0 | 0 | 112.5 | L31 Q61 H62 D64 W413 | L31-L36 HydrophobicContact CD1-CD2 4.05Å; L36-Q61 PolarHBondContact N-O 3.19Å; L36-Q61 VanDerWaalsContact N-O 3.1Å; L36-H62 WeakPolarHBondContact CG-O 3.45Å; L36-H62 PolarHBondContact N-O 3.49Å; L36-D64 WeakPolarHBondContact CD1-OD1 3.24Å; L36-W413 HydrophobicContact CD1-CH2 4.31Å; L36-W413 HydrophobicContact CD1-CZ3 4Å |
| 37 | R | 98.1 | Very high | 97.7 | Very high | 97 Ų | 97 | 53.7 Ų | 53.7 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 131.7 | 176.4 | -66.1 | 177.2 | -72.4 | -86 | -1.3 | 110.5 | P35 Q61 D64 | P35-R37 PolarHBondContact O-N 3.14Å; R37-Q61 HydrophobicContact CB-CB 4.3Å; R37-Q61 VanDerWaalsContact CZ-OE1 3.29Å; R37-Q61 PolarHBondContact N-O 3.2Å; R37-Q61 PolarHBondContact O-N 3.19Å; R37-D64 IonicContact CZ-OD2 3.81Å; R37-D64 IonicContact NH1-OD2 3.71Å; R37-D64 IonicContact NH2-OD2 3.62Å; R37-D64 PolarHBondContact NH2-OD2 3.11Å |
| 38 | M | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 56 Ų | 56 | 27% | 0.271 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.3 | 167.9 | -175.2 | 63.3 | -158.3 | 0 | 0 | 108.6 | Y58 A60 E81 V84 K85 | M38-Y58 HydrophobicContact CE-CD1 3.46Å; M38-Y58 VanDerWaalsContact CE-CD1 3.46Å; M38-Y58 HydrophobicContact CE-CE1 4.44Å; M38-Y58 HydrophobicContact CE-CG 3.94Å; M38-A60 HydrophobicContact SD-CB 3.62Å; M38-E81 HydrophobicContact CE-CB 4.36Å; M38-E81 HydrophobicContact CE-CG 3.84Å; M38-E81 HydrophobicContact CG-CG 4.28Å; M38-E81 HydrophobicContact SD-CG 4.4Å; M38-V84 HydrophobicContact CE-CG1 4.32Å; M38-K85 HydrophobicContact SD-CG 4.27Å |
| 39 | L | 98.1 | Very high | 97.8 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.2 | 179.2 | -179.3 | 66.5 | 0 | 0 | 0 | 110 | V41 Y58 R59 I132 F135 | L39-V41 HydrophobicContact CD1-CG1 4.17Å; L39-V41 HydrophobicContact CD2-CG1 3.85Å; L39-V41 HydrophobicContact CG-CG1 3.78Å; L39-Y58 CarbonylContact O-C 3.43Å; L39-Y58 VanDerWaalsContact O-CA 3.28Å; L39-Y58 WeakPolarHBondContact O-CA 3.44Å; L39-R59 HydrophobicContact CB-CB 4.46Å; L39-R59 PolarHBondContact N-O 3.32Å; L39-R59 PolarHBondContact O-N 3.34Å; L39-I132 HydrophobicContact CD2-CB 4.25Å; L39-I132 HydrophobicContact CD2-CG2 3.99Å; L39-F135 HydrophobicContact CD1-CE2 4.44Å; L39-F135 HydrophobicContact CD2-CD2 3.79Å; L39-F135 HydrophobicContact CD2-CE2 4.28Å |
| 40 | Q | 98.5 | Very high | 97.7 | Very high | 103 Ų | 103 | 62 Ų | 62 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.6 | 167.2 | -178.6 | 179.7 | -32.8 | 0 | 0 | 109.5 | T56 G57 Y58 | Q40-T56 HydrophobicContact CG-CG2 4.02Å; Q40-G57 CarbonylContact C-O 3.56Å; Q40-G57 WeakPolarHBondContact CA-O 3.34Å; Q40-Y58 HydrophobicContact CB-CD1 4.01Å; Q40-Y58 HydrophobicContact CB-CE1 4.02Å; Q40-Y58 HydrophobicContact CG-CD1 3.98Å; Q40-Y58 HydrophobicContact CG-CE1 3.62Å |
| 41 | V | 98.5 | Very high | 97.8 | Very high | 16 Ų | 16 | 61 Ų | 61 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 155.7 | -178.4 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | L39 I43 G57 Y128 A131 I132 | L39-V41 HydrophobicContact CD1-CG1 4.17Å; L39-V41 HydrophobicContact CD2-CG1 3.85Å; L39-V41 HydrophobicContact CG-CG1 3.78Å; V41-I43 HydrophobicContact CG2-CD1 4.18Å; V41-I43 HydrophobicContact CG2-CG1 3.96Å; V41-G57 PolarHBondContact N-O 3.43Å; V41-G57 PolarHBondContact O-N 2.98Å; V41-Y128 HydrophobicContact CG2-CD2 4.34Å; V41-Y128 HydrophobicContact CG2-CE2 4.46Å; V41-A131 HydrophobicContact CB-CB 3.92Å; V41-A131 HydrophobicContact CG1-CB 4.05Å; V41-A131 HydrophobicContact CG2-CB 3.99Å; V41-I132 HydrophobicContact CG1-CG2 4.24Å; V41-I132 HydrophobicContact CG2-CG2 4.28Å |
| 42 | R | 98.6 | Very high | 97.9 | Very high | 125 Ų | 125 | 63 Ų | 63 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123 | 174.6 | -65.4 | -97.5 | 43.6 | 129 | -15.4 | 108.2 | P44 T54 F55 T56 | R42-P44 WeakPolarHBondContact O-CD 3.19Å; R42-T54 HydrophobicContact CB-CG2 4.06Å; R42-T54 VanDerWaalsContact NE-CG2 3.34Å; R42-T54 PolarHBondContact NH2-O 3.16Å; R42-F55 WeakPolarHBondContact CA-O 3.27Å; R42-F55 PolarHBondContact NH2-O 3.4Å; R42-F55 VanDerWaalsContact NH2-O 3.07Å; R42-T56 VanDerWaalsContact CZ-OG1 3.26Å; R42-T56 PolarHBondContact NH1-OG1 3.22Å; R42-T56 PolarHBondContact NH2-OG1 3.03Å |
| 43 | I | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 95.6 | -170.3 | -47.2 | 159.7 | 0 | 0 | 0 | 108.6 | V41 V45 T54 F55 I109 L124 Y128 | V41-I43 HydrophobicContact CG2-CD1 4.18Å; V41-I43 HydrophobicContact CG2-CG1 3.96Å; I43-V45 HydrophobicContact CG2-CG2 4.16Å; I43-V45 PolarHBondContact O-N 2.82Å; I43-T54 WeakPolarHBondContact O-CA 3.36Å; I43-F55 HydrophobicContact CB-CB 4.43Å; I43-F55 PolarHBondContact N-O 2.93Å; I43-F55 PolarHBondContact O-N 3.04Å; I43-I109 HydrophobicContact CD1-CD1 3.97Å; I43-I109 HydrophobicContact CD1-CG1 4.36Å; I43-I109 HydrophobicContact CD1-CG2 4.34Å; I43-L124 HydrophobicContact CB-CD1 4.29Å; I43-L124 HydrophobicContact CD1-CD1 4.23Å; I43-L124 HydrophobicContact CG2-CD1 3.98Å; I43-Y128 HydrophobicContact CD1-CD2 3.72Å; I43-Y128 HydrophobicContact CD1-CG 4.33Å |
| 44 | P | 98.4 | Very high | 98.1 | Very high | 85 Ų | 85 | 68.5 Ų | 68.5 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125.3 | 175.3 | 29.1 | -33 | 0 | 0 | 0 | 110.1 | R42 V52 | R42-P44 WeakPolarHBondContact O-CD 3.19Å; P44-V52 HydrophobicContact CB-CG1 4.07Å |
| 45 | V | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.4 | 179.1 | 179 | 0 | 0 | 0 | 0 | 108.6 | I43 M47 V52 K53 F55 R123 L124 | I43-V45 HydrophobicContact CG2-CG2 4.16Å; I43-V45 PolarHBondContact O-N 2.82Å; V45-M47 HydrophobicContact CG1-SD 4.21Å; V45-M47 PolarHBondContact O-N 3.21Å; V45-V52 CarbonylContact O-C 3.56Å; V45-V52 WeakPolarHBondContact O-CA 3.46Å; V45-K53 PolarHBondContact N-O 3.39Å; V45-K53 PolarHBondContact O-N 2.61Å; V45-F55 HydrophobicContact CB-CD2 4.11Å; V45-F55 HydrophobicContact CB-CE2 3.94Å; V45-F55 HydrophobicContact CG2-CD2 3.85Å; V45-F55 HydrophobicContact CG2-CE2 4.09Å; V45-R123 HydrophobicContact CG1-CB 3.92Å; V45-L124 HydrophobicContact CG2-CB 4.03Å; V45-L124 HydrophobicContact CG2-CD1 3.74Å |
| 46 | R | 98.2 | Very high | 98.2 | Very high | 156 Ų | 156 | 65.6 Ų | 65.6 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 122.1 | 168.3 | -173.9 | 177.2 | -60.8 | -77.2 | 1.3 | 108.5 | G50 T51 R123 | R46-G50 PolarHBondContact NH1-O 2.83Å; R46-T51 CarbonylContact C-O 3.57Å; R46-T51 WeakPolarHBondContact CA-O 3.05Å; R46-R123 PolarHBondContact O-NE 3.02Å; R46-R123 PolarHBondContact O-NH2 3.14Å |
| 47 | M | 98.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | trans | -81.5 | 164.6 | 177.8 | -53.8 | -51.7 | -72.4 | 0 | 0 | 110.2 | V45 D49 G50 T51 K53 F55 E120 | V45-M47 HydrophobicContact CG1-SD 4.21Å; V45-M47 PolarHBondContact O-N 3.21Å; M47-D49 WeakPolarHBondContact CB-OD1 3.26Å; M47-D49 PolarHBondContact O-N 2.77Å; M47-G50 PolarHBondContact O-N 3.08Å; M47-T51 PolarHBondContact N-O 2.92Å; M47-K53 HydrophobicContact CE-CD 4.25Å; M47-K53 HydrophobicContact CG-CB 3.72Å; M47-K53 HydrophobicContact SD-CB 3.6Å; M47-K53 HydrophobicContact SD-CD 4.31Å; M47-F55 HydrophobicContact CE-CZ 4.43Å; M47-F55 HydrophobicContact SD-CE2 4.15Å; M47-F55 HydrophobicContact SD-CZ 4.4Å; M47-E120 WeakPolarHBondContact CA-OE1 3.47Å; M47-E120 VanDerWaalsContact CE-CD 3.46Å; M47-E120 HydrophobicContact CE-CG 4.17Å; M47-E120 VanDerWaalsContact CE-OE1 3.32Å; M47-E120 WeakPolarHBondContact CE-OE1 3.25Å | ||
| 48 | D | 97.9 | Very high | 98.3 | Very high | 89 Ų | 89 | 59.5 Ų | 59.5 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.7 | -178.3 | -72 | -13.6 | 0 | 0 | 0 | 112.6 | G50 S117 E120 R123 | D48-G50 PolarHBondContact O-N 3.16Å; D48-S117 WeakPolarHBondContact OD2-CB 3.38Å; D48-S117 PolarHBondContact OD2-OG 3.26Å; D48-E120 PolarHBondContact N-OE1 3.13Å; D48-R123 IonicContact OD1-CZ 2.81Å; D48-R123 IonicContact OD1-NH1 2.88Å; D48-R123 PolarHBondContact OD1-NH1 3.08Å; D48-R123 IonicContact OD1-NH2 3.46Å; D48-R123 PolarHBondContact OD1-NH2 3.23Å |
| 49 | D | 97.5 | Very high | 98.3 | Very high | 120 Ų | 120 | 57 Ų | 57 | 64% | 0.642 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 0.3 | 172.1 | 71.8 | 2.3 | 0 | 0 | 0 | 113.9 | M47 T51 | M47-D49 WeakPolarHBondContact CB-OD1 3.26Å; M47-D49 PolarHBondContact O-N 2.77Å; D49-T51 VanDerWaalsContact C-N 3.33Å; D49-T51 PolarHBondContact O-N 2.87Å; D49-T51 VanDerWaalsContact OD1-CB 3.25Å; D49-T51 WeakPolarHBondContact OD1-CB 3.28Å; D49-T51 WeakPolarHBondContact OD1-CG2 3.02Å; D49-T51 PolarHBondContact OD1-N 2.87Å; D49-T51 PolarHBondContact OD1-OG1 2.97Å; D49-T51 PolarHBondContact OD2-OG1 3.35Å |
| 50 | G | 97.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 55 Ų | 55 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 87.7 | -12 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R46 M47 D48 | R46-G50 PolarHBondContact NH1-O 2.83Å; M47-G50 PolarHBondContact O-N 3.08Å; D48-G50 PolarHBondContact O-N 3.16Å |
| 51 | T | 97.7 | Very high | 98.3 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | trans | -68 | 166.3 | 174.9 | 69.1 | 0 | 0 | 0 | 0 | 111.3 | R46 M47 D49 | R46-T51 CarbonylContact C-O 3.57Å; R46-T51 WeakPolarHBondContact CA-O 3.05Å; M47-T51 PolarHBondContact N-O 2.92Å; D49-T51 VanDerWaalsContact C-N 3.33Å; D49-T51 PolarHBondContact O-N 2.87Å; D49-T51 VanDerWaalsContact OD1-CB 3.25Å; D49-T51 WeakPolarHBondContact OD1-CB 3.28Å; D49-T51 WeakPolarHBondContact OD1-CG2 3.02Å; D49-T51 PolarHBondContact OD1-N 2.87Å; D49-T51 PolarHBondContact OD1-OG1 2.97Å; D49-T51 PolarHBondContact OD2-OG1 3.35Å | ||
| 52 | V | 98.1 | Very high | 98.3 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120 | 172.6 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | P44 V45 | P44-V52 HydrophobicContact CB-CG1 4.07Å; V45-V52 CarbonylContact O-C 3.56Å; V45-V52 WeakPolarHBondContact O-CA 3.46Å |
| 53 | K | 98.1 | Very high | 98.3 | Very high | 106 Ų | 106 | 43.7 Ų | 43.7 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.7 | 172.6 | -173.7 | 171.1 | 174.8 | 178.9 | 0 | 109.1 | V45 M47 F55 | V45-K53 PolarHBondContact N-O 3.39Å; V45-K53 PolarHBondContact O-N 2.61Å; M47-K53 HydrophobicContact CE-CD 4.25Å; M47-K53 HydrophobicContact CG-CB 3.72Å; M47-K53 HydrophobicContact SD-CB 3.6Å; M47-K53 HydrophobicContact SD-CD 4.31Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.39Å; K53-F55 HydrophobicContact CD-CE1 4.06Å; K53-F55 HydrophobicContact CD-CE2 3.98Å; K53-F55 HydrophobicContact CD-CZ 3.54Å; K53-F55 HydrophobicContact CG-CD2 4.37Å; K53-F55 HydrophobicContact CG-CE1 4.45Å; K53-F55 HydrophobicContact CG-CE2 3.82Å; K53-F55 HydrophobicContact CG-CZ 3.9Å |
| 54 | T | 98.5 | Very high | 98.3 | Very high | 71 Ų | 71 | 45.1 Ų | 45.1 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.9 | -178.5 | -64.7 | 0 | 0 | 0 | 0 | 110.3 | R42 I43 | R42-T54 HydrophobicContact CB-CG2 4.06Å; R42-T54 VanDerWaalsContact NE-CG2 3.34Å; R42-T54 PolarHBondContact NH2-O 3.16Å; I43-T54 WeakPolarHBondContact O-CA 3.36Å |
| 55 | F | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 153 | -178.2 | -64.8 | -92.6 | 0 | 0 | 0 | 112.5 | R42 I43 V45 M47 K53 I109 V110 C111 M116 L124 | R42-F55 WeakPolarHBondContact CA-O 3.27Å; R42-F55 PolarHBondContact NH2-O 3.4Å; R42-F55 VanDerWaalsContact NH2-O 3.07Å; I43-F55 HydrophobicContact CB-CB 4.43Å; I43-F55 PolarHBondContact N-O 2.93Å; I43-F55 PolarHBondContact O-N 3.04Å; V45-F55 HydrophobicContact CB-CD2 4.11Å; V45-F55 HydrophobicContact CB-CE2 3.94Å; V45-F55 HydrophobicContact CG2-CD2 3.85Å; V45-F55 HydrophobicContact CG2-CE2 4.09Å; M47-F55 HydrophobicContact CE-CZ 4.43Å; M47-F55 HydrophobicContact SD-CE2 4.15Å; M47-F55 HydrophobicContact SD-CZ 4.4Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.39Å; K53-F55 HydrophobicContact CD-CE1 4.06Å; K53-F55 HydrophobicContact CD-CE2 3.98Å; K53-F55 HydrophobicContact CD-CZ 3.54Å; K53-F55 HydrophobicContact CG-CD2 4.37Å; K53-F55 HydrophobicContact CG-CE1 4.45Å; K53-F55 HydrophobicContact CG-CE2 3.82Å; K53-F55 HydrophobicContact CG-CZ 3.9Å; F55-I109 HydrophobicContact CB-CG2 4.05Å; F55-V110 WeakPolarHBondContact CD1-O 3.3Å; F55-C111 HydrophobicContact CD1-CB 3.61Å; F55-C111 HydrophobicContact CE1-CB 3.58Å; F55-M116 HydrophobicContact CE1-CE 4.42Å; F55-M116 HydrophobicContact CE1-SD 4.08Å; F55-M116 HydrophobicContact CE2-CE 4.26Å; F55-M116 HydrophobicContact CZ-CE 3.76Å; F55-M116 HydrophobicContact CZ-SD 3.92Å; F55-L124 HydrophobicContact CB-CD1 3.81Å; F55-L124 HydrophobicContact CD2-CD1 3.75Å; F55-L124 HydrophobicContact CE2-CD1 4.45Å; F55-L124 HydrophobicContact CG-CD1 3.8Å |
| 56 | T | 98.7 | Very high | 98.3 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 14% | 0.135 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.2 | 175 | -43 | 0 | 0 | 0 | 0 | 107.9 | Q40 R42 Y58 I109 V110 | Q40-T56 HydrophobicContact CG-CG2 4.02Å; R42-T56 VanDerWaalsContact CZ-OG1 3.26Å; R42-T56 PolarHBondContact NH1-OG1 3.22Å; R42-T56 PolarHBondContact NH2-OG1 3.03Å; T56-Y58 HydrophobicContact CG2-CE1 4.27Å; T56-Y58 HydrophobicContact CG2-CE2 3.8Å; T56-I109 WeakPolarHBondContact O-CA 3.48Å; T56-I109 WeakPolarHBondContact O-CG2 3.42Å; T56-V110 HydrophobicContact CG2-CG2 4.48Å; T56-V110 PolarHBondContact O-N 2.84Å |
| 57 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 153.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q40 V41 G108 | Q40-G57 CarbonylContact C-O 3.56Å; Q40-G57 WeakPolarHBondContact CA-O 3.34Å; V41-G57 PolarHBondContact N-O 3.43Å; V41-G57 PolarHBondContact O-N 2.98Å; G57-G108 CarbonylContact C-O 3.58Å; G57-G108 WeakPolarHBondContact CA-O 3.42Å |
| 58 | Y | 98.6 | Very high | 98.3 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.8 | -179.6 | -63.3 | -75.7 | 0 | 0 | 0 | 110.5 | M38 L39 Q40 T56 V79 E81 G107 G108 V110 Y128 | M38-Y58 HydrophobicContact CE-CD1 3.46Å; M38-Y58 VanDerWaalsContact CE-CD1 3.46Å; M38-Y58 HydrophobicContact CE-CE1 4.44Å; M38-Y58 HydrophobicContact CE-CG 3.94Å; L39-Y58 CarbonylContact O-C 3.43Å; L39-Y58 VanDerWaalsContact O-CA 3.28Å; L39-Y58 WeakPolarHBondContact O-CA 3.44Å; Q40-Y58 HydrophobicContact CB-CD1 4.01Å; Q40-Y58 HydrophobicContact CB-CE1 4.02Å; Q40-Y58 HydrophobicContact CG-CD1 3.98Å; Q40-Y58 HydrophobicContact CG-CE1 3.62Å; T56-Y58 HydrophobicContact CG2-CE1 4.27Å; T56-Y58 HydrophobicContact CG2-CE2 3.8Å; Y58-V79 HydrophobicContact CD2-CG1 3.87Å; Y58-V79 HydrophobicContact CE2-CG1 4.31Å; Y58-E81 HydrophobicContact CD1-CB 4.37Å; Y58-E81 HydrophobicContact CE1-CB 3.98Å; Y58-G107 CarbonylContact O-C 3.58Å; Y58-G107 WeakPolarHBondContact O-CA 3.49Å; Y58-G108 PolarHBondContact N-O 2.85Å; Y58-G108 PolarHBondContact O-N 3.39Å; Y58-V110 HydrophobicContact CD2-CG2 4.45Å; Y58-V110 HydrophobicContact CE2-CG2 3.76Å; Y58-Y128 PolarHBondContact O-OH 2.87Å |
| 59 | R | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 110.2 | 166.1 | -166.4 | 72.1 | -177 | 164.5 | -0.1 | 110.2 | L39 G71 G72 K106 Y128 D141 | L39-R59 HydrophobicContact CB-CB 4.46Å; L39-R59 PolarHBondContact N-O 3.32Å; L39-R59 PolarHBondContact O-N 3.34Å; R59-G71 PolarHBondContact NH1-O 3.39Å; R59-G71 PolarHBondContact NH2-O 3.02Å; R59-G72 PolarHBondContact NH1-O 2.6Å; R59-K106 CarbonylContact C-O 3.58Å; R59-K106 WeakPolarHBondContact CA-O 2.99Å; R59-K106 WeakPolarHBondContact CD-O 3.18Å; R59-Y128 WeakPolarHBondContact CD-OH 3.23Å; R59-D141 IonicContact CZ-OD1 2.81Å; R59-D141 IonicContact CZ-OD2 2.7Å; R59-D141 IonicContact NE-OD1 3.75Å; R59-D141 IonicContact NE-OD2 3.19Å; R59-D141 PolarHBondContact NE-OD2 3.19Å; R59-D141 IonicContact NH2-OD1 3.54Å; R59-D141 PolarHBondContact NH2-OD1 3.17Å; R59-D141 IonicContact NH2-OD2 2.8Å; R59-D141 PolarHBondContact NH2-OD2 3.22Å |
| 60 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P35 M38 V84 G105 K106 | P35-A60 HydrophobicContact CG-CB 4.32Å; M38-A60 HydrophobicContact SD-CB 3.62Å; A60-V84 HydrophobicContact CB-CG1 3.81Å; A60-G105 CarbonylContact O-C 3.48Å; A60-G105 WeakPolarHBondContact O-CA 3.36Å; A60-K106 PolarHBondContact N-O 3.47Å; A60-K106 PolarHBondContact O-N 3.25Å |
| 61 | Q | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 96 | 172 | -64 | -178 | -9.6 | 0 | 0 | 107.1 | L36 R37 T69 F135 D141 | L36-Q61 PolarHBondContact N-O 3.19Å; L36-Q61 VanDerWaalsContact N-O 3.1Å; R37-Q61 HydrophobicContact CB-CB 4.3Å; R37-Q61 VanDerWaalsContact CZ-OE1 3.29Å; R37-Q61 PolarHBondContact N-O 3.2Å; R37-Q61 PolarHBondContact O-N 3.19Å; Q61-T69 HydrophobicContact CB-CG2 3.91Å; Q61-T69 HydrophobicContact CG-CG2 4.43Å; Q61-F135 PolarHBondContact NE2-O 3.22Å; Q61-D141 VanDerWaalsContact NE2-CB 3.27Å; Q61-D141 PolarHBondContact NE2-OD2 3.47Å |
| 62 | H | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | -59.9 | -168.1 | 178.7 | -122.7 | 0 | 0 | 0 | 112.2 | I32 P35 L36 T92 G104 | I32-H62 PolarHBondContact O-NE2 3.35Å; P35-H62 WeakPolarHBondContact CA-O 3.43Å; L36-H62 WeakPolarHBondContact CG-O 3.45Å; L36-H62 PolarHBondContact N-O 3.49Å; H62-T92 VanDerWaalsContact ND1-CB 3.3Å; H62-T92 WeakPolarHBondContact ND1-CB 3.38Å; H62-T92 PolarHBondContact ND1-OG1 2.94Å; H62-G104 WeakPolarHBondContact CB-O 3.47Å; H62-G104 PolarHBondContact N-O 2.8Å |
| 63 | N | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 132.6 | 179.4 | -166.1 | -69.6 | 0 | 0 | 0 | 109.9 | A65 G103 G104 T404 | N63-A65 WeakPolarHBondContact OD1-CB 3.24Å; N63-A65 PolarHBondContact OD1-N 3.35Å; N63-G103 WeakPolarHBondContact O-CA 3.48Å; N63-G104 PolarHBondContact O-N 2.91Å; N63-T404 HydrophobicContact CB-CG2 3.84Å; N63-T404 VanDerWaalsContact CG-CG2 3.41Å; N63-T404 VanDerWaalsContact OD1-CG2 3.29Å; N63-T404 WeakPolarHBondContact OD1-CG2 2.96Å |
| 64 | D | 98.2 | Very high | 98.2 | Very high | 32 Ų | 32 | 12.4 Ų | 12.4 | 17% | 0.171 | 7% | 0.073 | C | C | . | . | trans | -115.1 | 20.4 | -178.8 | 61.3 | 7.4 | 0 | 0 | 0 | 113.5 | L36 R37 V66 G67 T69 R411 W413 | L36-D64 WeakPolarHBondContact CD1-OD1 3.24Å; R37-D64 IonicContact CZ-OD2 3.81Å; R37-D64 IonicContact NH1-OD2 3.71Å; R37-D64 IonicContact NH2-OD2 3.62Å; R37-D64 PolarHBondContact NH2-OD2 3.11Å; D64-V66 VanDerWaalsContact C-N 3.3Å; D64-V66 PolarHBondContact O-N 3.42Å; D64-G67 CarbonylContact C-O 3.58Å; D64-G67 VanDerWaalsContact CA-O 3.23Å; D64-G67 WeakPolarHBondContact CA-O 3.33Å; D64-G67 WeakPolarHBondContact CB-O 3.44Å; D64-G67 PolarHBondContact O-N 3.14Å; D64-T69 HydrophobicContact CB-CG2 4.12Å; D64-R411 PolarHBondContact O-NH1 3.35Å; D64-W413 WeakPolarHBondContact OD1-CH2 3.44Å | ||
| 65 | A | 98.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 9 Ų | 9 | 2% | 0.017 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -59.4 | -40.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | N63 A407 A408 R411 W413 | N63-A65 WeakPolarHBondContact OD1-CB 3.24Å; N63-A65 PolarHBondContact OD1-N 3.35Å; A65-A407 HydrophobicContact CB-CB 3.85Å; A65-A408 HydrophobicContact CB-CB 4.07Å; A65-R411 PolarHBondContact O-NE 3.42Å; A65-R411 VanDerWaalsContact O-NE 3.15Å; A65-R411 PolarHBondContact O-NH1 2.91Å; A65-R411 PolarHBondContact O-NH2 2.82Å; A65-W413 VanDerWaalsContact CA-CH2 3.42Å; A65-W413 HydrophobicContact CB-CE3 4.13Å; A65-W413 HydrophobicContact CB-CH2 3.8Å; A65-W413 HydrophobicContact CB-CZ3 3.48Å; A65-W413 VanDerWaalsContact CB-CZ3 3.48Å |
| 66 | V | 98.1 | Very high | 97.9 | Very high | 25 Ų | 25 | 11 Ų | 11 | 15% | 0.152 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -80.2 | -31.9 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 112 | D64 R403 A407 | D64-V66 VanDerWaalsContact C-N 3.3Å; D64-V66 PolarHBondContact O-N 3.42Å; V66-R403 HydrophobicContact CG1-CG 4.47Å; V66-R403 HydrophobicContact CG2-CG 4.07Å; V66-A407 HydrophobicContact CG2-CB 3.92Å |
| 67 | G | 98.3 | Very high | 97.8 | Very high | 14 Ų | 14 | 12.2 Ų | 12.2 | 14% | 0.144 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 165.7 | -171.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D64 | D64-G67 CarbonylContact C-O 3.58Å; D64-G67 VanDerWaalsContact CA-O 3.23Å; D64-G67 WeakPolarHBondContact CA-O 3.33Å; D64-G67 WeakPolarHBondContact CB-O 3.44Å; D64-G67 PolarHBondContact O-N 3.14Å |
| 68 | P | 98.5 | Very high | 97.5 | Very high | 21 Ų | 21 | 17.6 Ų | 17.6 | 14% | 0.136 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -61.9 | 154.4 | -178 | 28.9 | -35.1 | 0 | 0 | 0 | 111.4 | Y102 G103 K140 I142 | P68-Y102 HydrophobicContact CG-CD1 3.84Å; P68-Y102 HydrophobicContact CG-CE1 3.87Å; P68-Y102 WeakPolarHBondContact O-CA 3.28Å; P68-Y102 WeakPolarHBondContact O-CD1 3.34Å; P68-G103 PolarHBondContact O-N 3.3Å; P68-K140 CarbonylContact C-O 2.93Å; P68-K140 VanDerWaalsContact CA-O 3.29Å; P68-K140 WeakPolarHBondContact CA-O 3.46Å; P68-K140 VanDerWaalsContact CB-C 3.47Å; P68-K140 VanDerWaalsContact CB-O 3.24Å; P68-K140 WeakPolarHBondContact CB-O 3.36Å; P68-I142 HydrophobicContact CB-CD1 3.61Å; P68-I142 HydrophobicContact CG-CD1 3.63Å |
| 69 | T | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 145.5 | -179.7 | 52.1 | 0 | 0 | 0 | 0 | 111.5 | Q61 D64 G104 K140 D141 I142 | Q61-T69 HydrophobicContact CB-CG2 3.91Å; Q61-T69 HydrophobicContact CG-CG2 4.43Å; D64-T69 HydrophobicContact CB-CG2 4.12Å; T69-G104 WeakPolarHBondContact CB-O 3.46Å; T69-G104 VanDerWaalsContact CG2-O 3.23Å; T69-G104 WeakPolarHBondContact CG2-O 3.32Å; T69-K140 PolarHBondContact N-O 3.42Å; T69-D141 CarbonylContact O-C 3.56Å; T69-D141 VanDerWaalsContact O-CA 3.27Å; T69-D141 WeakPolarHBondContact O-CA 3.38Å; T69-D141 WeakPolarHBondContact OG1-CB 3.32Å; T69-D141 PolarHBondContact OG1-OD1 2.95Å; T69-D141 VanDerWaalsContact OG1-OD1 3.11Å; T69-I142 PolarHBondContact O-N 2.98Å |
| 70 | K | 98.7 | Very high | 97 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.4 | -178.2 | -172 | 75.7 | -169.1 | 80.9 | 0 | 111.1 | M91 Y102 G103 G105 I142 P143 T174 V345 | K70-M91 WeakPolarHBondContact O-CB 3.39Å; K70-M91 WeakPolarHBondContact O-CE 3.22Å; K70-Y102 HydrophobicContact CB-CD1 4.4Å; K70-Y102 HydrophobicContact CB-CD2 3.68Å; K70-Y102 HydrophobicContact CB-CE2 4.17Å; K70-Y102 HydrophobicContact CB-CG 3.81Å; K70-Y102 HydrophobicContact CD-CD2 4.13Å; K70-Y102 HydrophobicContact CD-CE2 3.72Å; K70-Y102 HydrophobicContact CG-CD2 3.78Å; K70-Y102 HydrophobicContact CG-CE2 3.86Å; K70-Y102 HydrophobicContact CG-CG 4.4Å; K70-G103 PolarHBondContact N-O 2.77Å; K70-G105 CarbonylContact C-O 3.6Å; K70-G105 PolarHBondContact O-N 2.95Å; K70-I142 HydrophobicContact CD-CB 3.75Å; K70-I142 HydrophobicContact CD-CG2 3.9Å; K70-I142 VanDerWaalsContact CD-O 3.32Å; K70-I142 WeakPolarHBondContact CD-O 3.5Å; K70-I142 PolarHBondContact NZ-O 2.93Å; K70-P143 PolarHBondContact NZ-O 3.03Å; K70-T174 WeakPolarHBondContact CE-OG1 3.49Å; K70-T174 PolarHBondContact NZ-OG1 3.33Å; K70-V345 HydrophobicContact CG-CG2 4.17Å |
| 71 | G | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | trans | 161.6 | 167.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R59 G105 I142 P143 A144 | R59-G71 PolarHBondContact NH1-O 3.39Å; R59-G71 PolarHBondContact NH2-O 3.02Å; G71-G105 WeakPolarHBondContact CA-O 3.11Å; G71-I142 PolarHBondContact N-O 3.04Å; G71-P143 WeakPolarHBondContact O-CA 3.04Å; G71-A144 PolarHBondContact O-N 2.65Å | ||
| 72 | G | 96.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | trans | -69.3 | 170 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R59 G107 A144 | R59-G72 PolarHBondContact NH1-O 2.6Å; G72-G107 PolarHBondContact O-N 3.47Å; G72-A144 CarbonylContact C-O 3.51Å; G72-A144 WeakPolarHBondContact CA-O 3.39Å | ||
| 73 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.9 | 172.7 | -177 | 0 | 0 | 0 | 0 | 108.4 | F75 G107 Y128 P143 A144 D146 T149 M157 | V73-F75 HydrophobicContact CG1-CD1 4.24Å; V73-F75 HydrophobicContact CG1-CE1 3.86Å; V73-G107 WeakPolarHBondContact CA-O 3.31Å; V73-Y128 HydrophobicContact CB-CE1 4.49Å; V73-Y128 HydrophobicContact CG1-CD1 4.41Å; V73-Y128 HydrophobicContact CG1-CE1 3.76Å; V73-Y128 HydrophobicContact CG2-CE1 3.89Å; V73-P143 HydrophobicContact CG2-CB 3.86Å; V73-A144 PolarHBondContact N-O 3.33Å; V73-D146 WeakPolarHBondContact O-CB 3.4Å; V73-T149 WeakPolarHBondContact O-CG2 3.41Å; V73-T149 PolarHBondContact O-OG1 2.78Å; V73-M157 HydrophobicContact CG1-CE 4.48Å |
| 74 | R | 95.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 25 Ų | 25 | 7% | 0.072 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 144.3 | 176.8 | 55.9 | -178.8 | 58 | -171.5 | -3.6 | 112.6 | V79 E83 G107 G108 I109 D146 V147 | R74-V79 HydrophobicContact CG-CG2 3.69Å; R74-E83 IonicContact CZ-OE1 3.6Å; R74-E83 IonicContact NH1-OE1 2.91Å; R74-E83 PolarHBondContact NH1-OE1 3.39Å; R74-E83 IonicContact NH1-OE2 3.94Å; R74-E83 PolarHBondContact NH1-OE2 2.82Å; R74-G107 PolarHBondContact N-O 2.89Å; R74-G107 VanDerWaalsContact N-O 3.16Å; R74-G108 CarbonylContact O-C 3.6Å; R74-G108 WeakPolarHBondContact O-CA 3.27Å; R74-I109 PolarHBondContact O-N 2.75Å; R74-D146 HydrophobicContact CB-CB 4.04Å; R74-D146 IonicContact CZ-OD1 3.77Å; R74-D146 VanDerWaalsContact CZ-OD1 3.3Å; R74-D146 IonicContact NE-OD1 2.73Å; R74-D146 PolarHBondContact NE-OD1 3.41Å; R74-D146 IonicContact NH2-OD1 3.45Å; R74-D146 PolarHBondContact NH2-OD1 3.18Å; R74-V147 CarbonylContact C-O 3.6Å; R74-V147 VanDerWaalsContact CA-O 3.26Å; R74-V147 WeakPolarHBondContact CA-O 3.36Å; R74-V147 HydrophobicContact CB-CB 3.95Å; R74-V147 WeakPolarHBondContact CB-O 3.44Å |
| 75 | F | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 94.4 | 174.2 | -76.7 | 15.1 | 0 | 0 | 0 | 107.1 | V73 I109 C111 P113 V121 L124 V147 F148 T149 I153 M157 | V73-F75 HydrophobicContact CG1-CD1 4.24Å; V73-F75 HydrophobicContact CG1-CE1 3.86Å; F75-I109 HydrophobicContact CD1-CB 3.93Å; F75-I109 HydrophobicContact CD1-CD1 3.92Å; F75-I109 HydrophobicContact CD1-CG1 3.91Å; F75-I109 HydrophobicContact CE1-CB 4.19Å; F75-I109 HydrophobicContact CE1-CD1 3.26Å; F75-I109 HydrophobicContact CE1-CG1 3.69Å; F75-I109 HydrophobicContact CZ-CD1 3.64Å; F75-C111 CarbonylContact C-O 3.56Å; F75-C111 VanDerWaalsContact CB-SG 3.58Å; F75-P113 HydrophobicContact CB-CG 3.97Å; F75-P113 WeakPolarHBondContact O-CD 3.33Å; F75-V121 HydrophobicContact CD2-CG1 4.4Å; F75-V121 HydrophobicContact CE2-CG1 4.08Å; F75-L124 HydrophobicContact CD2-CD2 4.44Å; F75-L124 HydrophobicContact CE2-CD2 4.2Å; F75-V147 PolarHBondContact N-O 3.05Å; F75-F148 HydrophobicContact CB-CB 4.44Å; F75-F148 WeakPolarHBondContact O-CB 3.43Å; F75-F148 VanDerWaalsContact O-CD2 3.24Å; F75-F148 WeakPolarHBondContact O-CD2 3.42Å; F75-T149 HydrophobicContact CB-CG2 4.05Å; F75-T149 HydrophobicContact CD1-CG2 3.52Å; F75-T149 HydrophobicContact CD2-CG2 4.09Å; F75-T149 HydrophobicContact CE1-CG2 3.88Å; F75-T149 HydrophobicContact CE2-CG2 4.43Å; F75-T149 HydrophobicContact CG-CG2 3.62Å; F75-T149 HydrophobicContact CZ-CG2 4.33Å; F75-I153 HydrophobicContact CD2-CD1 3.97Å; F75-I153 HydrophobicContact CE2-CD1 3.76Å; F75-I153 HydrophobicContact CE2-CG2 4.4Å; F75-I153 HydrophobicContact CZ-CD1 4.43Å; F75-I153 HydrophobicContact CZ-CG2 4.14Å; F75-M157 HydrophobicContact CE1-CE 4.03Å; F75-M157 HydrophobicContact CZ-CE 3.83Å |
| 76 | H | 94.5 | Very high | 95.9 | Very high | 47 Ų | 47 | 24.4 Ų | 24.4 | 22% | 0.218 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 143.4 | -175 | -167.4 | -89.5 | 0 | 0 | 0 | 110.8 | D78 V79 I109 V110 C111 F148 | H76-D78 IonicContact CE1-OD2 2.73Å; H76-D78 PolarHBondContact CE1-OD2 2.9Å; H76-D78 PolarHBondContact ND1-N 3.27Å; H76-D78 VanDerWaalsContact ND1-N 3.14Å; H76-D78 IonicContact ND1-OD2 3.58Å; H76-D78 PolarHBondContact O-N 2.93Å; H76-V79 HydrophobicContact CB-CG2 3.78Å; H76-V79 WeakPolarHBondContact O-CG2 3.4Å; H76-V79 PolarHBondContact O-N 3.46Å; H76-I109 PolarHBondContact N-O 3.37Å; H76-I109 VanDerWaalsContact N-O 3.11Å; H76-V110 WeakPolarHBondContact O-CA 3.34Å; H76-C111 CarbonylContact C-O 3.49Å; H76-C111 WeakPolarHBondContact CA-O 3.43Å; H76-C111 PolarHBondContact N-O 3.45Å; H76-C111 PolarHBondContact O-N 3.48Å; H76-F148 AromaticContact CD2-CD2 3.83Å; H76-F148 AromaticContact CD2-CE2 3.45Å; H76-F148 VanDerWaalsContact CD2-CE2 3.45Å; H76-F148 WeakPolarHBondContact CD2-CE2 3.39Å |
| 77 | P | 95.4 | Very high | 95.8 | Very high | 48 Ų | 48 | 23.6 Ų | 23.6 | 31% | 0.312 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31 | -179.4 | 22.7 | -34.3 | 0 | 0 | 0 | 112.8 | V110 C111 D112 | P77-V110 WeakPolarHBondContact O-CG1 3.35Å; P77-C111 WeakPolarHBondContact CD-O 3.41Å; P77-D112 HydrophobicContact CG-CB 4.46Å |
| 78 | D | 93.3 | Very high | 95.7 | Very high | 113 Ų | 113 | 23 Ų | 23 | 60% | 0.604 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 12.1 | -177.3 | -52.7 | -40.8 | 0 | 0 | 0 | 114.1 | H76 D80 | H76-D78 IonicContact CE1-OD2 2.73Å; H76-D78 PolarHBondContact CE1-OD2 2.9Å; H76-D78 PolarHBondContact ND1-N 3.27Å; H76-D78 VanDerWaalsContact ND1-N 3.14Å; H76-D78 IonicContact ND1-OD2 3.58Å; H76-D78 PolarHBondContact O-N 2.93Å; D78-D80 PolarHBondContact O-N 2.96Å |
| 79 | V | 93.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | trans | -59.8 | 130.8 | 172.7 | 173 | 0 | 0 | 0 | 0 | 109.4 | Y58 R74 H76 V84 V110 | Y58-V79 HydrophobicContact CD2-CG1 3.87Å; Y58-V79 HydrophobicContact CE2-CG1 4.31Å; R74-V79 HydrophobicContact CG-CG2 3.69Å; H76-V79 HydrophobicContact CB-CG2 3.78Å; H76-V79 WeakPolarHBondContact O-CG2 3.4Å; H76-V79 PolarHBondContact O-N 3.46Å; V79-V84 HydrophobicContact CG1-CG2 3.85Å; V79-V110 HydrophobicContact CB-CG2 4.22Å; V79-V110 HydrophobicContact CG1-CG2 4.48Å; V79-V110 WeakPolarHBondContact O-CG2 3.49Å | ||
| 80 | D | 94.5 | Very high | 95.6 | Very high | 44 Ų | 44 | 22.6 Ų | 22.6 | 24% | 0.235 | 12% | 0.115 | C | C | . | . | trans | -132.6 | 172.9 | 168.1 | 70.2 | 41.4 | 0 | 0 | 0 | 112.3 | N4 D78 E82 E83 V84 | N4-D80 PolarHBondContact ND2-OD2 2.94Å; D78-D80 PolarHBondContact O-N 2.96Å; D80-E82 PolarHBondContact OD1-N 2.91Å; D80-E83 WeakPolarHBondContact OD1-CB 3.23Å; D80-E83 PolarHBondContact OD1-N 3.35Å; D80-V84 VanDerWaalsContact O-CG2 3.25Å; D80-V84 WeakPolarHBondContact O-CG2 3.39Å; D80-V84 PolarHBondContact O-N 3.48Å | ||
| 81 | E | 96.1 | Very high | 95.5 | Very high | 64 Ų | 64 | 23.2 Ų | 23.2 | 30% | 0.299 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.1 | -42.4 | -178.8 | 171.6 | 170.2 | 162.9 | 0 | 0 | 112.6 | M38 Y58 V84 K85 | M38-E81 HydrophobicContact CE-CB 4.36Å; M38-E81 HydrophobicContact CE-CG 3.84Å; M38-E81 HydrophobicContact CG-CG 4.28Å; M38-E81 HydrophobicContact SD-CG 4.4Å; Y58-E81 HydrophobicContact CD1-CB 4.37Å; Y58-E81 HydrophobicContact CE1-CB 3.98Å; E81-V84 PolarHBondContact O-N 3.27Å; E81-K85 HydrophobicContact CG-CD 4.3Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-K85 PolarHBondContact O-N 3.48Å; E81-K85 WeakPolarHBondContact OE1-CE 3.37Å; E81-K85 IonicContact OE1-NZ 3.18Å; E81-K85 PolarHBondContact OE1-NZ 3.08Å |
| 82 | E | 93.7 | Very high | 95.6 | Very high | 50 Ų | 50 | 23.1 Ų | 23.1 | 23% | 0.234 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.5 | -42 | -175.2 | -66.5 | -59.1 | 120.1 | 0 | 0 | 111.2 | V8 D80 V84 K85 A86 | V8-E82 HydrophobicContact CG2-CB 3.95Å; V8-E82 WeakPolarHBondContact CG2-O 3.2Å; D80-E82 PolarHBondContact OD1-N 2.91Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 3.3Å; E82-K85 WeakPolarHBondContact O-CB 3.26Å; E82-K85 PolarHBondContact O-N 3.18Å; E82-K85 IonicContact OE1-NZ 3.25Å; E82-K85 PolarHBondContact OE1-NZ 3.11Å; E82-A86 PolarHBondContact O-N 2.97Å |
| 83 | E | 91.5 | Very high | 95.7 | Very high | 32 Ų | 32 | 22.9 Ų | 22.9 | 15% | 0.15 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 172.8 | -170.2 | -165.3 | -153.6 | 0 | 0 | 111 | R74 D80 K85 A86 L87 | R74-E83 IonicContact CZ-OE1 3.6Å; R74-E83 IonicContact NH1-OE1 2.91Å; R74-E83 PolarHBondContact NH1-OE1 3.39Å; R74-E83 IonicContact NH1-OE2 3.94Å; R74-E83 PolarHBondContact NH1-OE2 2.82Å; D80-E83 WeakPolarHBondContact OD1-CB 3.23Å; D80-E83 PolarHBondContact OD1-N 3.35Å; E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 3.48Å; E83-A86 PolarHBondContact O-N 2.94Å; E83-L87 HydrophobicContact CG-CD1 3.82Å; E83-L87 HydrophobicContact CG-CG 4.43Å; E83-L87 WeakPolarHBondContact O-CB 3.37Å; E83-L87 WeakPolarHBondContact O-CD1 3.4Å; E83-L87 WeakPolarHBondContact O-CG 2.98Å; E83-L87 PolarHBondContact O-N 3.41Å |
| 84 | V | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.2 | -36.4 | 179.9 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | M38 A60 V79 D80 E81 E82 S88 K106 | M38-V84 HydrophobicContact CE-CG1 4.32Å; A60-V84 HydrophobicContact CB-CG1 3.81Å; V79-V84 HydrophobicContact CG1-CG2 3.85Å; D80-V84 VanDerWaalsContact O-CG2 3.25Å; D80-V84 WeakPolarHBondContact O-CG2 3.39Å; D80-V84 PolarHBondContact O-N 3.48Å; E81-V84 PolarHBondContact O-N 3.27Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 3.3Å; V84-S88 WeakPolarHBondContact O-CB 3.36Å; V84-S88 PolarHBondContact O-N 3.38Å; V84-S88 VanDerWaalsContact O-N 3.08Å; V84-K106 HydrophobicContact CG1-CB 4.11Å; V84-K106 WeakPolarHBondContact CG1-O 3.46Å |
| 85 | K | 96.7 | Very high | 95.8 | Very high | 20 Ų | 20 | 22.7 Ų | 22.7 | 9% | 0.087 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.1 | -55.8 | 172.1 | -70.6 | 175.7 | -177.7 | 161.1 | 0 | 111.4 | V8 P35 M38 E81 E82 E83 L87 S88 M89 | V8-K85 HydrophobicContact CG2-CB 4.41Å; P35-K85 HydrophobicContact CG-CB 4.25Å; P35-K85 HydrophobicContact CG-CG 3.97Å; M38-K85 HydrophobicContact SD-CG 4.27Å; E81-K85 HydrophobicContact CG-CD 4.3Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-K85 PolarHBondContact O-N 3.48Å; E81-K85 WeakPolarHBondContact OE1-CE 3.37Å; E81-K85 IonicContact OE1-NZ 3.18Å; E81-K85 PolarHBondContact OE1-NZ 3.08Å; E82-K85 WeakPolarHBondContact O-CB 3.26Å; E82-K85 PolarHBondContact O-N 3.18Å; E82-K85 IonicContact OE1-NZ 3.25Å; E82-K85 PolarHBondContact OE1-NZ 3.11Å; E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 3.48Å; K85-L87 VanDerWaalsContact C-N 3.3Å; K85-L87 PolarHBondContact O-N 3.28Å; K85-S88 WeakPolarHBondContact O-CB 3.35Å; K85-S88 PolarHBondContact O-N 3.48Å; K85-S88 PolarHBondContact O-OG 3.36Å; K85-M89 WeakPolarHBondContact O-CG 3.22Å; K85-M89 PolarHBondContact O-N 3.31Å |
| 86 | A | 93.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.8 | -46 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 V8 E82 E83 S88 M89 W90 | L7-A86 HydrophobicContact CB-CB 4.25Å; V8-A86 HydrophobicContact CG2-CB 3.78Å; E82-A86 PolarHBondContact O-N 2.97Å; E83-A86 PolarHBondContact O-N 2.94Å; A86-S88 VanDerWaalsContact C-N 3.29Å; A86-S88 PolarHBondContact O-N 2.94Å; A86-M89 WeakPolarHBondContact O-CB 3.28Å; A86-M89 PolarHBondContact O-N 3.45Å; A86-M89 VanDerWaalsContact O-N 3.16Å; A86-W90 PolarHBondContact O-N 3.33Å |
| 87 | L | 94.4 | Very high | 96 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 5% | 0.047 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.1 | -34.1 | 177.7 | -69.6 | 166.4 | 0 | 0 | 0 | 112.6 | E83 K85 W90 M91 K106 | E83-L87 HydrophobicContact CG-CD1 3.82Å; E83-L87 HydrophobicContact CG-CG 4.43Å; E83-L87 WeakPolarHBondContact O-CB 3.37Å; E83-L87 WeakPolarHBondContact O-CD1 3.4Å; E83-L87 WeakPolarHBondContact O-CG 2.98Å; E83-L87 PolarHBondContact O-N 3.41Å; K85-L87 VanDerWaalsContact C-N 3.3Å; K85-L87 PolarHBondContact O-N 3.28Å; L87-W90 HydrophobicContact CD2-CE3 3.7Å; L87-W90 HydrophobicContact CD2-CZ3 3.72Å; L87-W90 PolarHBondContact O-N 3.2Å; L87-M91 WeakPolarHBondContact O-CG 3.21Å; L87-M91 PolarHBondContact O-N 3.04Å; L87-K106 HydrophobicContact CB-CB 4.15Å; L87-K106 HydrophobicContact CB-CD 3.74Å; L87-K106 HydrophobicContact CB-CG 3.58Å; L87-K106 HydrophobicContact CD1-CG 4.2Å |
| 88 | S | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.4 | -35.7 | 175.6 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | V84 K85 A86 M91 T92 G104 | V84-S88 WeakPolarHBondContact O-CB 3.36Å; V84-S88 PolarHBondContact O-N 3.38Å; V84-S88 VanDerWaalsContact O-N 3.08Å; K85-S88 WeakPolarHBondContact O-CB 3.35Å; K85-S88 PolarHBondContact O-N 3.48Å; K85-S88 PolarHBondContact O-OG 3.36Å; A86-S88 VanDerWaalsContact C-N 3.29Å; A86-S88 PolarHBondContact O-N 2.94Å; S88-M91 PolarHBondContact O-N 2.83Å; S88-T92 PolarHBondContact O-N 3.1Å; S88-T92 VanDerWaalsContact O-N 3.15Å; S88-G104 WeakPolarHBondContact O-CA 3.32Å |
| 89 | M | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 172.1 | -60.7 | 174 | -175.8 | 0 | 0 | 110.8 | V8 T11 Q12 I15 K33 K85 A86 M91 T92 L93 | V8-M89 HydrophobicContact CG1-CE 4.38Å; T11-M89 HydrophobicContact CG2-CB 4.01Å; T11-M89 HydrophobicContact CG2-SD 3.96Å; Q12-M89 HydrophobicContact CG-CE 4.34Å; Q12-M89 HydrophobicContact CG-SD 4.4Å; I15-M89 HydrophobicContact CD1-CB 4.27Å; I15-M89 HydrophobicContact CD1-SD 4.46Å; K33-M89 WeakPolarHBondContact O-CE 3.04Å; K85-M89 WeakPolarHBondContact O-CG 3.22Å; K85-M89 PolarHBondContact O-N 3.31Å; A86-M89 WeakPolarHBondContact O-CB 3.28Å; A86-M89 PolarHBondContact O-N 3.45Å; A86-M89 VanDerWaalsContact O-N 3.16Å; M89-M91 VanDerWaalsContact C-N 3.26Å; M89-M91 PolarHBondContact O-N 2.93Å; M89-T92 WeakPolarHBondContact O-CB 3.43Å; M89-T92 PolarHBondContact O-N 2.88Å; M89-L93 PolarHBondContact O-N 2.97Å |
| 90 | W | 96.2 | Very high | 96.6 | Very high | 13 Ų | 13 | 18.3 Ų | 18.3 | 5% | 0.049 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.6 | -32.9 | 176.6 | -63 | -14 | 0 | 0 | 0 | 112.6 | L7 T11 A86 L87 L93 K94 N316 V338 Y397 | L7-W90 HydrophobicContact CD2-CH2 4.16Å; L7-W90 HydrophobicContact CD2-CZ2 4.42Å; T11-W90 PolarHBondContact OG1-NE1 3.37Å; A86-W90 PolarHBondContact O-N 3.33Å; L87-W90 HydrophobicContact CD2-CE3 3.7Å; L87-W90 HydrophobicContact CD2-CZ3 3.72Å; L87-W90 PolarHBondContact O-N 3.2Å; W90-L93 PolarHBondContact O-N 2.77Å; W90-K94 WeakPolarHBondContact O-CB 3.27Å; W90-K94 VanDerWaalsContact O-CG 3.28Å; W90-K94 WeakPolarHBondContact O-CG 3.42Å; W90-K94 PolarHBondContact O-N 2.89Å; W90-N316 HydrophobicContact CE3-CB 3.71Å; W90-N316 HydrophobicContact CH2-CB 4.31Å; W90-N316 HydrophobicContact CZ3-CB 3.36Å; W90-V338 HydrophobicContact CB-CG1 4.29Å; W90-V338 HydrophobicContact CG-CG1 4.44Å; W90-Y397 PolarHBondContact NE1-OH 3.38Å |
| 91 | M | 97.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 18.1 Ų | 18.1 | 7% | 0.074 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 172.6 | -72.5 | -56 | -52.3 | 0 | 0 | 112.3 | K70 L87 S88 M89 L93 K94 C95 G105 K106 V345 | K70-M91 WeakPolarHBondContact O-CB 3.39Å; K70-M91 WeakPolarHBondContact O-CE 3.22Å; L87-M91 WeakPolarHBondContact O-CG 3.21Å; L87-M91 PolarHBondContact O-N 3.04Å; S88-M91 PolarHBondContact O-N 2.83Å; M89-M91 VanDerWaalsContact C-N 3.26Å; M89-M91 PolarHBondContact O-N 2.93Å; M91-L93 VanDerWaalsContact C-N 3.33Å; M91-L93 PolarHBondContact O-N 2.73Å; M91-K94 PolarHBondContact O-N 3.09Å; M91-K94 HydrophobicContact SD-CD 4.16Å; M91-C95 WeakPolarHBondContact O-CB 3.27Å; M91-C95 PolarHBondContact O-N 2.95Å; M91-C95 PolarHBondContact O-SG 2.92Å; M91-G105 WeakPolarHBondContact CG-O 3.36Å; M91-K106 HydrophobicContact CG-CD 4.26Å; M91-V345 HydrophobicContact CE-CB 4Å; M91-V345 HydrophobicContact CE-CG2 3.55Å |
| 92 | T | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 171.7 | -76.1 | 0 | 0 | 0 | 0 | 110.8 | H62 S88 M89 C95 G96 G104 I401 T404 | H62-T92 VanDerWaalsContact ND1-CB 3.3Å; H62-T92 WeakPolarHBondContact ND1-CB 3.38Å; H62-T92 PolarHBondContact ND1-OG1 2.94Å; S88-T92 PolarHBondContact O-N 3.1Å; S88-T92 VanDerWaalsContact O-N 3.15Å; M89-T92 WeakPolarHBondContact O-CB 3.43Å; M89-T92 PolarHBondContact O-N 2.88Å; T92-C95 PolarHBondContact O-N 2.86Å; T92-G96 PolarHBondContact O-N 2.94Å; T92-G104 VanDerWaalsContact N-CA 3.3Å; T92-G104 WeakPolarHBondContact OG1-CA 3.02Å; T92-G104 PolarHBondContact OG1-N 2.81Å; T92-I401 HydrophobicContact CG2-CD1 3.86Å; T92-T404 HydrophobicContact CG2-CG2 4.07Å; T92-T404 WeakPolarHBondContact CG2-OG1 3.21Å |
| 93 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.9 | -50.4 | 178.8 | -63.7 | 174.5 | 0 | 0 | 0 | 111.5 | M89 W90 M91 C95 G96 I97 V338 Y397 G400 I401 | M89-L93 PolarHBondContact O-N 2.97Å; W90-L93 PolarHBondContact O-N 2.77Å; M91-L93 VanDerWaalsContact C-N 3.33Å; M91-L93 PolarHBondContact O-N 2.73Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 3Å; L93-G96 PolarHBondContact O-N 3.11Å; L93-G96 VanDerWaalsContact O-N 3.13Å; L93-I97 WeakPolarHBondContact O-CB 3.37Å; L93-I97 VanDerWaalsContact O-CG1 3.25Å; L93-I97 WeakPolarHBondContact O-CG1 3.41Å; L93-I97 PolarHBondContact O-N 3.05Å; L93-V338 HydrophobicContact CB-CB 4.5Å; L93-V338 HydrophobicContact CB-CG1 4.24Å; L93-V338 HydrophobicContact CD1-CG1 4.34Å; L93-Y397 HydrophobicContact CD1-CD1 3.59Å; L93-Y397 HydrophobicContact CD1-CD2 4.02Å; L93-Y397 HydrophobicContact CD1-CE1 3.41Å; L93-Y397 VanDerWaalsContact CD1-CE1 3.41Å; L93-Y397 HydrophobicContact CD1-CE2 3.86Å; L93-Y397 HydrophobicContact CD1-CG 3.91Å; L93-Y397 HydrophobicContact CD2-CD1 4.47Å; L93-G400 WeakPolarHBondContact O-CA 3.31Å; L93-I401 HydrophobicContact CD2-CB 3.91Å; L93-I401 HydrophobicContact CD2-CD1 4.23Å |
| 94 | K | 97.8 | Very high | 97.4 | Very high | 15 Ų | 15 | 11.3 Ų | 11.3 | 7% | 0.065 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -54.8 | -48.6 | 177.4 | -74.1 | 176.8 | -173.9 | -167.8 | 0 | 111.2 | W90 M91 G96 I97 V98 N316 V338 S341 V345 | W90-K94 WeakPolarHBondContact O-CB 3.27Å; W90-K94 VanDerWaalsContact O-CG 3.28Å; W90-K94 WeakPolarHBondContact O-CG 3.42Å; W90-K94 PolarHBondContact O-N 2.89Å; M91-K94 PolarHBondContact O-N 3.09Å; M91-K94 HydrophobicContact SD-CD 4.16Å; K94-G96 VanDerWaalsContact C-N 3.34Å; K94-G96 PolarHBondContact O-N 2.89Å; K94-I97 PolarHBondContact O-N 3.17Å; K94-V98 WeakPolarHBondContact O-CG2 3.36Å; K94-V98 PolarHBondContact O-N 2.71Å; K94-N316 PolarHBondContact NZ-OD1 3.34Å; K94-V338 HydrophobicContact CG-CB 4.14Å; K94-V338 HydrophobicContact CG-CG1 4.37Å; K94-V338 WeakPolarHBondContact CG-O 3.5Å; K94-S341 VanDerWaalsContact CE-OG 3.29Å; K94-S341 WeakPolarHBondContact CE-OG 3.38Å; K94-S341 PolarHBondContact NZ-OG 2.89Å; K94-V345 HydrophobicContact CB-CG1 4.15Å |
| 95 | C | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 178.4 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | M91 T92 L93 N99 L100 | M91-C95 WeakPolarHBondContact O-CB 3.27Å; M91-C95 PolarHBondContact O-N 2.95Å; M91-C95 PolarHBondContact O-SG 2.92Å; T92-C95 PolarHBondContact O-N 2.86Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 3Å; C95-N99 PolarHBondContact O-N 2.71Å; C95-L100 HydrophobicContact CB-CB 4.28Å; C95-L100 PolarHBondContact O-N 2.83Å |
| 96 | G | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 10.7 Ų | 10.7 | 10% | 0.103 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T92 L93 K94 V98 N99 G400 | T92-G96 PolarHBondContact O-N 2.94Å; L93-G96 PolarHBondContact O-N 3.11Å; L93-G96 VanDerWaalsContact O-N 3.13Å; K94-G96 VanDerWaalsContact C-N 3.34Å; K94-G96 PolarHBondContact O-N 2.89Å; G96-V98 PolarHBondContact O-N 3.16Å; G96-N99 PolarHBondContact O-N 2.79Å; G96-N99 VanDerWaalsContact O-N 3.1Å; G96-G400 WeakPolarHBondContact CA-O 3.33Å |
| 97 | I | 98.3 | Very high | 97.8 | Very high | 8 Ų | 8 | 10.7 Ų | 10.7 | 4% | 0.041 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.6 | -47.6 | -179.2 | -73.6 | 166.1 | 0 | 0 | 0 | 111.6 | L93 K94 N99 V338 L339 A377 I381 A396 | L93-I97 WeakPolarHBondContact O-CB 3.37Å; L93-I97 VanDerWaalsContact O-CG1 3.25Å; L93-I97 WeakPolarHBondContact O-CG1 3.41Å; L93-I97 PolarHBondContact O-N 3.05Å; K94-I97 PolarHBondContact O-N 3.17Å; I97-N99 VanDerWaalsContact C-N 3.28Å; I97-N99 PolarHBondContact O-N 2.77Å; I97-V338 HydrophobicContact CD1-CB 3.71Å; I97-V338 HydrophobicContact CD1-CG2 3.57Å; I97-V338 WeakPolarHBondContact CD1-O 3.46Å; I97-L339 HydrophobicContact CG2-CB 4.49Å; I97-L339 HydrophobicContact CG2-CD1 3.86Å; I97-A377 HydrophobicContact CG2-CB 3.9Å; I97-A377 WeakPolarHBondContact O-CB 3.39Å; I97-I381 HydrophobicContact CB-CD1 4.46Å; I97-I381 HydrophobicContact CD1-CD1 4.33Å; I97-I381 HydrophobicContact CG1-CD1 4.09Å; I97-I381 HydrophobicContact CG2-CD1 3.62Å; I97-A396 HydrophobicContact CD1-CB 4.05Å |
| 98 | V | 97.9 | Very high | 98 | Very high | 3 Ų | 3 | 10.3 Ų | 10.3 | 2% | 0.018 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 16.3 | 179.5 | -70.4 | 0 | 0 | 0 | 0 | 113.7 | K94 G96 L100 A342 V345 K373 L374 A377 | K94-V98 WeakPolarHBondContact O-CG2 3.36Å; K94-V98 PolarHBondContact O-N 2.71Å; G96-V98 PolarHBondContact O-N 3.16Å; V98-L100 HydrophobicContact CB-CG 4.42Å; V98-L100 HydrophobicContact CG2-CD1 3.66Å; V98-L100 HydrophobicContact CG2-CD2 4.23Å; V98-L100 HydrophobicContact CG2-CG 3.58Å; V98-L100 PolarHBondContact O-N 3.07Å; V98-A342 HydrophobicContact CG1-CB 3.74Å; V98-A342 HydrophobicContact CG2-CB 4.38Å; V98-V345 HydrophobicContact CG2-CG1 4.31Å; V98-K373 PolarHBondContact O-NZ 2.86Å; V98-K373 VanDerWaalsContact O-NZ 3.15Å; V98-L374 HydrophobicContact CG1-CD2 3.73Å; V98-A377 HydrophobicContact CG1-CB 4.1Å |
| 99 | N | 97.8 | Very high | 98.1 | Very high | 101 Ų | 101 | 10.3 Ų | 10.3 | 54% | 0.54 | 6% | 0.057 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 46.6 | 174.8 | -166.8 | 30.7 | 0 | 0 | 0 | 113.7 | C95 G96 I97 R403 | C95-N99 PolarHBondContact O-N 2.71Å; G96-N99 PolarHBondContact O-N 2.79Å; G96-N99 VanDerWaalsContact O-N 3.1Å; I97-N99 VanDerWaalsContact C-N 3.28Å; I97-N99 PolarHBondContact O-N 2.77Å; N99-R403 VanDerWaalsContact C-NH1 3.31Å; N99-R403 PolarHBondContact O-NH1 2.76Å; N99-R403 PolarHBondContact OD1-NH1 2.89Å |
| 100 | L | 98 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | trans | -88.8 | 146.2 | 177.4 | -55.1 | -177.5 | 0 | 0 | 0 | 110.9 | C95 V98 Y102 V345 Y349 K373 R403 | C95-L100 HydrophobicContact CB-CB 4.28Å; C95-L100 PolarHBondContact O-N 2.83Å; V98-L100 HydrophobicContact CB-CG 4.42Å; V98-L100 HydrophobicContact CG2-CD1 3.66Å; V98-L100 HydrophobicContact CG2-CD2 4.23Å; V98-L100 HydrophobicContact CG2-CG 3.58Å; V98-L100 PolarHBondContact O-N 3.07Å; L100-Y102 HydrophobicContact CB-CD2 4.19Å; L100-Y102 HydrophobicContact CD1-CD2 4.43Å; L100-Y102 PolarHBondContact O-N 3.06Å; L100-V345 HydrophobicContact CD1-CB 4.5Å; L100-V345 HydrophobicContact CD1-CG1 4.14Å; L100-V345 HydrophobicContact CD1-CG2 3.89Å; L100-Y349 HydrophobicContact CD2-CD1 3.54Å; L100-Y349 HydrophobicContact CD2-CE1 4.14Å; L100-Y349 HydrophobicContact CD2-CG 3.74Å; L100-K373 HydrophobicContact CD2-CD 4.37Å; L100-R403 PolarHBondContact O-NH1 2.7Å; L100-R403 VanDerWaalsContact O-NH1 3.16Å | ||
| 101 | P | 98 | Very high | 98.2 | Very high | 40 Ų | 40 | 12 Ų | 12 | 26% | 0.26 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -78.3 | 48.9 | 178.3 | 36.1 | -37 | 0 | 0 | 0 | 111.7 | Y349 | P101-Y349 HydrophobicContact CG-CD2 4.21Å; P101-Y349 HydrophobicContact CG-CE2 3.48Å; P101-Y349 VanDerWaalsContact CG-CE2 3.48Å |
| 102 | Y | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.008 | 7% | 0.072 | C | C | . | . | trans | -131.9 | 149.9 | -173.6 | -72.3 | -34.3 | 0 | 0 | 0 | 112.8 | P68 K70 L100 I142 Y349 W352 | P68-Y102 HydrophobicContact CG-CD1 3.84Å; P68-Y102 HydrophobicContact CG-CE1 3.87Å; P68-Y102 WeakPolarHBondContact O-CA 3.28Å; P68-Y102 WeakPolarHBondContact O-CD1 3.34Å; K70-Y102 HydrophobicContact CB-CD1 4.4Å; K70-Y102 HydrophobicContact CB-CD2 3.68Å; K70-Y102 HydrophobicContact CB-CE2 4.17Å; K70-Y102 HydrophobicContact CB-CG 3.81Å; K70-Y102 HydrophobicContact CD-CD2 4.13Å; K70-Y102 HydrophobicContact CD-CE2 3.72Å; K70-Y102 HydrophobicContact CG-CD2 3.78Å; K70-Y102 HydrophobicContact CG-CE2 3.86Å; K70-Y102 HydrophobicContact CG-CG 4.4Å; L100-Y102 HydrophobicContact CB-CD2 4.19Å; L100-Y102 HydrophobicContact CD1-CD2 4.43Å; L100-Y102 PolarHBondContact O-N 3.06Å; Y102-I142 HydrophobicContact CE1-CD1 4.07Å; Y102-Y349 HydrophobicContact CD2-CD2 4.49Å; Y102-Y349 AromaticContact CE2-CD2 3.8Å; Y102-Y349 HydrophobicContact CE2-CD2 3.8Å; Y102-Y349 HydrophobicContact CE2-CG 4.31Å; Y102-Y349 AromaticContact CZ-CD2 4Å; Y102-W352 HydrophobicContact CE1-CD2 4.29Å; Y102-W352 HydrophobicContact CE1-CE3 4.24Å; Y102-W352 HydrophobicContact CE1-CZ3 4.39Å; Y102-W352 AromaticContact CZ-CE3 4Å; Y102-W352 WeakPolarHBondContact OH-CB 3.39Å | ||
| 103 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 179.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N63 P68 K70 | N63-G103 WeakPolarHBondContact O-CA 3.48Å; P68-G103 PolarHBondContact O-N 3.3Å; K70-G103 PolarHBondContact N-O 2.77Å |
| 104 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H62 N63 T69 S88 T92 | H62-G104 WeakPolarHBondContact CB-O 3.47Å; H62-G104 PolarHBondContact N-O 2.8Å; N63-G104 PolarHBondContact O-N 2.91Å; T69-G104 WeakPolarHBondContact CB-O 3.46Å; T69-G104 VanDerWaalsContact CG2-O 3.23Å; T69-G104 WeakPolarHBondContact CG2-O 3.32Å; S88-G104 WeakPolarHBondContact O-CA 3.32Å; T92-G104 VanDerWaalsContact N-CA 3.3Å; T92-G104 WeakPolarHBondContact OG1-CA 3.02Å; T92-G104 PolarHBondContact OG1-N 2.81Å |
| 105 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 156.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | A60 K70 G71 M91 | A60-G105 CarbonylContact O-C 3.48Å; A60-G105 WeakPolarHBondContact O-CA 3.36Å; K70-G105 CarbonylContact C-O 3.6Å; K70-G105 PolarHBondContact O-N 2.95Å; G71-G105 WeakPolarHBondContact CA-O 3.11Å; M91-G105 WeakPolarHBondContact CG-O 3.36Å |
| 106 | K | 98.2 | Very high | 97.2 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 148.6 | 172 | -154.5 | 80.3 | 178.3 | -165.7 | 0 | 110.4 | R59 A60 V84 L87 M91 D146 | R59-K106 CarbonylContact C-O 3.58Å; R59-K106 WeakPolarHBondContact CA-O 2.99Å; R59-K106 WeakPolarHBondContact CD-O 3.18Å; A60-K106 PolarHBondContact N-O 3.47Å; A60-K106 PolarHBondContact O-N 3.25Å; V84-K106 HydrophobicContact CG1-CB 4.11Å; V84-K106 WeakPolarHBondContact CG1-O 3.46Å; L87-K106 HydrophobicContact CB-CB 4.15Å; L87-K106 HydrophobicContact CB-CD 3.74Å; L87-K106 HydrophobicContact CB-CG 3.58Å; L87-K106 HydrophobicContact CD1-CG 4.2Å; M91-K106 HydrophobicContact CG-CD 4.26Å; K106-D146 WeakPolarHBondContact CE-OD2 3.25Å; K106-D146 IonicContact NZ-OD2 3.43Å; K106-D146 PolarHBondContact NZ-OD2 2.85Å |
| 107 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 167.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y58 G72 V73 R74 | Y58-G107 CarbonylContact O-C 3.58Å; Y58-G107 WeakPolarHBondContact O-CA 3.49Å; G72-G107 PolarHBondContact O-N 3.47Å; V73-G107 WeakPolarHBondContact CA-O 3.31Å; R74-G107 PolarHBondContact N-O 2.89Å; R74-G107 VanDerWaalsContact N-O 3.16Å |
| 108 | G | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 153.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G57 Y58 R74 | G57-G108 CarbonylContact C-O 3.58Å; G57-G108 WeakPolarHBondContact CA-O 3.42Å; Y58-G108 PolarHBondContact N-O 2.85Å; Y58-G108 PolarHBondContact O-N 3.39Å; R74-G108 CarbonylContact O-C 3.6Å; R74-G108 WeakPolarHBondContact O-CA 3.27Å |
| 109 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.5 | 171.4 | -52.8 | -175 | 0 | 0 | 0 | 108.1 | I43 F55 T56 R74 F75 H76 C111 L124 Y128 | I43-I109 HydrophobicContact CD1-CD1 3.97Å; I43-I109 HydrophobicContact CD1-CG1 4.36Å; I43-I109 HydrophobicContact CD1-CG2 4.34Å; F55-I109 HydrophobicContact CB-CG2 4.05Å; T56-I109 WeakPolarHBondContact O-CA 3.48Å; T56-I109 WeakPolarHBondContact O-CG2 3.42Å; R74-I109 PolarHBondContact O-N 2.75Å; F75-I109 HydrophobicContact CD1-CB 3.93Å; F75-I109 HydrophobicContact CD1-CD1 3.92Å; F75-I109 HydrophobicContact CD1-CG1 3.91Å; F75-I109 HydrophobicContact CE1-CB 4.19Å; F75-I109 HydrophobicContact CE1-CD1 3.26Å; F75-I109 HydrophobicContact CE1-CG1 3.69Å; F75-I109 HydrophobicContact CZ-CD1 3.64Å; H76-I109 PolarHBondContact N-O 3.37Å; H76-I109 VanDerWaalsContact N-O 3.11Å; I109-C111 VanDerWaalsContact C-N 3.35Å; I109-C111 HydrophobicContact CG2-CB 4.35Å; I109-C111 PolarHBondContact O-N 3.19Å; I109-L124 HydrophobicContact CD1-CD1 4.2Å; I109-L124 HydrophobicContact CD1-CD2 4.41Å; I109-L124 HydrophobicContact CD1-CG 4.04Å; I109-L124 HydrophobicContact CG2-CD1 4.1Å; I109-L124 HydrophobicContact CG2-CD2 4.1Å; I109-L124 HydrophobicContact CG2-CG 4.45Å; I109-Y128 HydrophobicContact CD1-CD1 4.32Å; I109-Y128 HydrophobicContact CD1-CD2 3.76Å; I109-Y128 HydrophobicContact CD1-CE2 4.47Å; I109-Y128 HydrophobicContact CD1-CG 3.66Å; I109-Y128 HydrophobicContact CG1-CD2 3.94Å; I109-Y128 HydrophobicContact CG1-CE2 4.2Å; I109-Y128 HydrophobicContact CG1-CG 4.27Å |
| 110 | V | 98.5 | Very high | 97.1 | Very high | 45 Ų | 45 | 34.7 Ų | 34.7 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 87.9 | 175.4 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | F55 T56 Y58 H76 P77 V79 | F55-V110 WeakPolarHBondContact CD1-O 3.3Å; T56-V110 HydrophobicContact CG2-CG2 4.48Å; T56-V110 PolarHBondContact O-N 2.84Å; Y58-V110 HydrophobicContact CD2-CG2 4.45Å; Y58-V110 HydrophobicContact CE2-CG2 3.76Å; H76-V110 WeakPolarHBondContact O-CA 3.34Å; P77-V110 WeakPolarHBondContact O-CG1 3.35Å; V79-V110 HydrophobicContact CB-CG2 4.22Å; V79-V110 HydrophobicContact CG1-CG2 4.48Å; V79-V110 WeakPolarHBondContact O-CG2 3.49Å |
| 111 | C | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.034 | 18% | 0.175 | C | C | . | . | trans | -156.1 | 156.3 | 178 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | F55 F75 H76 P77 I109 P113 M116 L124 | F55-C111 HydrophobicContact CD1-CB 3.61Å; F55-C111 HydrophobicContact CE1-CB 3.58Å; F75-C111 CarbonylContact C-O 3.56Å; F75-C111 VanDerWaalsContact CB-SG 3.58Å; H76-C111 CarbonylContact C-O 3.49Å; H76-C111 WeakPolarHBondContact CA-O 3.43Å; H76-C111 PolarHBondContact N-O 3.45Å; H76-C111 PolarHBondContact O-N 3.48Å; P77-C111 WeakPolarHBondContact CD-O 3.41Å; I109-C111 VanDerWaalsContact C-N 3.35Å; I109-C111 HydrophobicContact CG2-CB 4.35Å; I109-C111 PolarHBondContact O-N 3.19Å; C111-P113 WeakPolarHBondContact O-CD 3.45Å; C111-M116 HydrophobicContact CB-SD 4.18Å; C111-L124 HydrophobicContact CB-CD2 4.16Å | ||
| 112 | D | 95.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | trans | -105.1 | 100.6 | 165.2 | -170.3 | -14.9 | 0 | 0 | 0 | 109.2 | P77 R114 Q115 | P77-D112 HydrophobicContact CG-CB 4.46Å; D112-R114 PolarHBondContact O-N 2.9Å; D112-R114 VanDerWaalsContact O-N 3.16Å; D112-R114 VanDerWaalsContact OD1-CB 3.25Å; D112-R114 WeakPolarHBondContact OD1-CB 3.34Å; D112-R114 WeakPolarHBondContact OD1-CG 3.48Å; D112-R114 IonicContact OD1-CZ 3.36Å; D112-R114 PolarHBondContact OD1-N 3.04Å; D112-R114 IonicContact OD1-NE 3.07Å; D112-R114 PolarHBondContact OD1-NE 3.17Å; D112-R114 IonicContact OD1-NH2 2.76Å; D112-R114 PolarHBondContact OD1-NH2 3.01Å; D112-R114 IonicContact OD2-CZ 3.53Å; D112-R114 IonicContact OD2-NE 2.71Å; D112-R114 PolarHBondContact OD2-NE 3.18Å; D112-R114 IonicContact OD2-NH2 2.6Å; D112-R114 PolarHBondContact OD2-NH2 3.33Å; D112-Q115 HydrophobicContact CB-CG 4.23Å; D112-Q115 PolarHBondContact O-N 3.34Å; D112-Q115 VanDerWaalsContact O-N 3.11Å | ||
| 113 | P | 92.6 | Very high | 97.1 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -66.2 | -15 | -178.3 | 26.5 | -32.8 | 0 | 0 | 0 | 113.1 | F75 C111 Q115 M116 V121 F148 | F75-P113 HydrophobicContact CB-CG 3.97Å; F75-P113 WeakPolarHBondContact O-CD 3.33Å; C111-P113 WeakPolarHBondContact O-CD 3.45Å; P113-Q115 PolarHBondContact O-N 3.1Å; P113-M116 PolarHBondContact O-N 2.79Å; P113-V121 HydrophobicContact CB-CG2 4.22Å; P113-F148 HydrophobicContact CG-CB 3.5Å; P113-F148 HydrophobicContact CG-CD2 4.14Å; P113-F148 HydrophobicContact CG-CG 4.05Å |
| 114 | R | 90.3 | Very high | 97.2 | Very high | 138 Ų | 138 | 39.2 Ų | 39.2 | 52% | 0.521 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -73 | -20.1 | 175.8 | -56.9 | 167 | -66.5 | -172 | 2.2 | 112.3 | D112 | D112-R114 PolarHBondContact O-N 2.9Å; D112-R114 VanDerWaalsContact O-N 3.16Å; D112-R114 VanDerWaalsContact OD1-CB 3.25Å; D112-R114 WeakPolarHBondContact OD1-CB 3.34Å; D112-R114 WeakPolarHBondContact OD1-CG 3.48Å; D112-R114 IonicContact OD1-CZ 3.36Å; D112-R114 PolarHBondContact OD1-N 3.04Å; D112-R114 IonicContact OD1-NE 3.07Å; D112-R114 PolarHBondContact OD1-NE 3.17Å; D112-R114 IonicContact OD1-NH2 2.76Å; D112-R114 PolarHBondContact OD1-NH2 3.01Å; D112-R114 IonicContact OD2-CZ 3.53Å; D112-R114 IonicContact OD2-NE 2.71Å; D112-R114 PolarHBondContact OD2-NE 3.18Å; D112-R114 IonicContact OD2-NH2 2.6Å; D112-R114 PolarHBondContact OD2-NH2 3.33Å |
| 115 | Q | 94.3 | Very high | 97.2 | Very high | 155 Ų | 155 | 39.2 Ų | 39.2 | 72% | 0.724 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -98.3 | 10.3 | 176.7 | -59.6 | -176.6 | -0.6 | 0 | 0 | 112.5 | D112 P113 | D112-Q115 HydrophobicContact CB-CG 4.23Å; D112-Q115 PolarHBondContact O-N 3.34Å; D112-Q115 VanDerWaalsContact O-N 3.11Å; P113-Q115 PolarHBondContact O-N 3.1Å |
| 116 | M | 96.6 | Very high | 97.2 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 11% | 0.108 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -120.1 | 146.4 | -176.3 | -64.6 | 178.7 | 64.9 | 0 | 0 | 109.9 | F55 C111 P113 E120 V121 L124 | F55-M116 HydrophobicContact CE1-CE 4.42Å; F55-M116 HydrophobicContact CE1-SD 4.08Å; F55-M116 HydrophobicContact CE2-CE 4.26Å; F55-M116 HydrophobicContact CZ-CE 3.76Å; F55-M116 HydrophobicContact CZ-SD 3.92Å; C111-M116 HydrophobicContact CB-SD 4.18Å; P113-M116 PolarHBondContact O-N 2.79Å; M116-E120 VanDerWaalsContact CA-OE2 3.29Å; M116-E120 WeakPolarHBondContact CA-OE2 3.47Å; M116-E120 HydrophobicContact CB-CB 4.14Å; M116-E120 HydrophobicContact CE-CB 3.7Å; M116-V121 HydrophobicContact CB-CG2 3.82Å; M116-L124 HydrophobicContact CE-CB 4.29Å; M116-L124 HydrophobicContact CE-CD2 3.92Å; M116-L124 HydrophobicContact SD-CD2 4.24Å |
| 117 | S | 97.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | trans | -70 | 158.6 | 169.6 | 85.4 | 0 | 0 | 0 | 0 | 110.8 | D48 H119 E120 V121 | D48-S117 WeakPolarHBondContact OD2-CB 3.38Å; D48-S117 PolarHBondContact OD2-OG 3.26Å; S117-H119 PolarHBondContact O-N 3.44Å; S117-H119 VanDerWaalsContact O-N 3.16Å; S117-H119 PolarHBondContact OG-N 3.16Å; S117-E120 PolarHBondContact N-OE2 3.12Å; S117-E120 WeakPolarHBondContact O-CB 3.29Å; S117-E120 PolarHBondContact O-N 3.18Å; S117-E120 WeakPolarHBondContact OG-CG 3.33Å; S117-E120 PolarHBondContact OG-N 3.18Å; S117-E120 VanDerWaalsContact OG-N 3.15Å; S117-V121 WeakPolarHBondContact O-CG2 3.33Å; S117-V121 PolarHBondContact O-N 2.94Å | ||
| 118 | I | 96.3 | Very high | 97.2 | Very high | 108 Ų | 108 | 41.4 Ų | 41.4 | 55% | 0.554 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -57 | -33 | 176.3 | -164.8 | 166.3 | 0 | 0 | 0 | 112.4 | V121 E122 W156 | I118-V121 PolarHBondContact O-N 3.33Å; I118-E122 PolarHBondContact O-N 3.03Å; I118-W156 HydrophobicContact CD1-CH2 4.32Å; I118-W156 HydrophobicContact CG1-CH2 3.65Å; I118-W156 HydrophobicContact CG1-CZ2 4.12Å |
| 119 | H | 97.8 | Very high | 97.3 | Very high | 108 Ų | 108 | 41.5 Ų | 41.5 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -74.3 | -34.6 | 178.4 | -59.6 | -58.2 | 0 | 0 | 0 | 112.3 | S117 E122 R123 | S117-H119 PolarHBondContact O-N 3.44Å; S117-H119 VanDerWaalsContact O-N 3.16Å; S117-H119 PolarHBondContact OG-N 3.16Å; H119-E122 PolarHBondContact O-N 2.89Å; H119-R123 VanDerWaalsContact CB-NH1 3.34Å; H119-R123 WeakPolarHBondContact O-CG 3.16Å; H119-R123 PolarHBondContact O-N 3.45Å; H119-R123 PolarHBondContact O-NH1 3.35Å |
| 120 | E | 98.5 | Very high | 97.3 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 171.7 | -70 | 171.7 | 156.4 | 0 | 0 | 111.2 | M47 D48 M116 S117 R123 L124 | M47-E120 WeakPolarHBondContact CA-OE1 3.47Å; M47-E120 VanDerWaalsContact CE-CD 3.46Å; M47-E120 HydrophobicContact CE-CG 4.17Å; M47-E120 VanDerWaalsContact CE-OE1 3.32Å; M47-E120 WeakPolarHBondContact CE-OE1 3.25Å; D48-E120 PolarHBondContact N-OE1 3.13Å; M116-E120 VanDerWaalsContact CA-OE2 3.29Å; M116-E120 WeakPolarHBondContact CA-OE2 3.47Å; M116-E120 HydrophobicContact CB-CB 4.14Å; M116-E120 HydrophobicContact CE-CB 3.7Å; S117-E120 PolarHBondContact N-OE2 3.12Å; S117-E120 WeakPolarHBondContact O-CB 3.29Å; S117-E120 PolarHBondContact O-N 3.18Å; S117-E120 WeakPolarHBondContact OG-CG 3.33Å; S117-E120 PolarHBondContact OG-N 3.18Å; S117-E120 VanDerWaalsContact OG-N 3.15Å; E120-R123 PolarHBondContact O-N 2.81Å; E120-L124 WeakPolarHBondContact O-CB 3.35Å; E120-L124 PolarHBondContact O-N 2.8Å |
| 121 | V | 98.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 111 | F75 P113 M116 S117 I118 L124 S125 I153 W156 | F75-V121 HydrophobicContact CD2-CG1 4.4Å; F75-V121 HydrophobicContact CE2-CG1 4.08Å; P113-V121 HydrophobicContact CB-CG2 4.22Å; M116-V121 HydrophobicContact CB-CG2 3.82Å; S117-V121 WeakPolarHBondContact O-CG2 3.33Å; S117-V121 PolarHBondContact O-N 2.94Å; I118-V121 PolarHBondContact O-N 3.33Å; V121-L124 PolarHBondContact O-N 2.94Å; V121-S125 WeakPolarHBondContact O-CB 3.24Å; V121-S125 PolarHBondContact O-N 3.39Å; V121-S125 PolarHBondContact O-OG 3.48Å; V121-I153 HydrophobicContact CG1-CD1 3.68Å; V121-I153 HydrophobicContact CG1-CG1 4.19Å; V121-W156 HydrophobicContact CB-CZ3 4.41Å; V121-W156 HydrophobicContact CG1-CZ3 3.96Å |
| 122 | E | 98.7 | Very high | 97.3 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 23% | 0.229 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -52.8 | 173 | 177.5 | 175.7 | -176.8 | 0 | 0 | 111.4 | I118 H119 L124 S125 R126 W156 | I118-E122 PolarHBondContact O-N 3.03Å; H119-E122 PolarHBondContact O-N 2.89Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 3.36Å; E122-S125 WeakPolarHBondContact O-CB 3.48Å; E122-S125 PolarHBondContact O-N 2.83Å; E122-S125 VanDerWaalsContact O-N 3.11Å; E122-R126 HydrophobicContact CG-CG 4.44Å; E122-R126 WeakPolarHBondContact O-CG 3.37Å; E122-R126 PolarHBondContact O-N 3.43Å; E122-R126 IonicContact OE1-CZ 3.59Å; E122-R126 IonicContact OE1-NE 3.02Å; E122-R126 PolarHBondContact OE1-NE 3.09Å; E122-R126 IonicContact OE1-NH2 2.87Å; E122-R126 PolarHBondContact OE1-NH2 3.33Å; E122-W156 HydrophobicContact CB-CD2 3.82Å; E122-W156 HydrophobicContact CB-CE3 3.97Å; E122-W156 HydrophobicContact CB-CG 4.42Å; E122-W156 HydrophobicContact CB-CH2 4.03Å; E122-W156 HydrophobicContact CB-CZ2 3.85Å; E122-W156 HydrophobicContact CB-CZ3 4.09Å; E122-W156 HydrophobicContact CG-CD2 3.77Å; E122-W156 HydrophobicContact CG-CE3 4.37Å; E122-W156 HydrophobicContact CG-CG 3.85Å; E122-W156 HydrophobicContact CG-CZ2 4.33Å |
| 123 | R | 98.7 | Very high | 97.4 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.2 | -38.8 | -179.2 | -71.7 | -173.6 | -59 | -93.9 | 10.6 | 111.9 | V45 R46 D48 H119 E120 G127 | V45-R123 HydrophobicContact CG1-CB 3.92Å; R46-R123 PolarHBondContact O-NE 3.02Å; R46-R123 PolarHBondContact O-NH2 3.14Å; D48-R123 IonicContact OD1-CZ 2.81Å; D48-R123 IonicContact OD1-NH1 2.88Å; D48-R123 PolarHBondContact OD1-NH1 3.08Å; D48-R123 IonicContact OD1-NH2 3.46Å; D48-R123 PolarHBondContact OD1-NH2 3.23Å; H119-R123 VanDerWaalsContact CB-NH1 3.34Å; H119-R123 WeakPolarHBondContact O-CG 3.16Å; H119-R123 PolarHBondContact O-N 3.45Å; H119-R123 PolarHBondContact O-NH1 3.35Å; E120-R123 PolarHBondContact O-N 2.81Å; R123-G127 PolarHBondContact O-N 3.3Å |
| 124 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 174.1 | 179.3 | 61.2 | 0 | 0 | 0 | 111.7 | I43 V45 F55 F75 I109 C111 M116 E120 V121 E122 R126 G127 Y128 | I43-L124 HydrophobicContact CB-CD1 4.29Å; I43-L124 HydrophobicContact CD1-CD1 4.23Å; I43-L124 HydrophobicContact CG2-CD1 3.98Å; V45-L124 HydrophobicContact CG2-CB 4.03Å; V45-L124 HydrophobicContact CG2-CD1 3.74Å; F55-L124 HydrophobicContact CB-CD1 3.81Å; F55-L124 HydrophobicContact CD2-CD1 3.75Å; F55-L124 HydrophobicContact CE2-CD1 4.45Å; F55-L124 HydrophobicContact CG-CD1 3.8Å; F75-L124 HydrophobicContact CD2-CD2 4.44Å; F75-L124 HydrophobicContact CE2-CD2 4.2Å; I109-L124 HydrophobicContact CD1-CD1 4.2Å; I109-L124 HydrophobicContact CD1-CD2 4.41Å; I109-L124 HydrophobicContact CD1-CG 4.04Å; I109-L124 HydrophobicContact CG2-CD1 4.1Å; I109-L124 HydrophobicContact CG2-CD2 4.1Å; I109-L124 HydrophobicContact CG2-CG 4.45Å; C111-L124 HydrophobicContact CB-CD2 4.16Å; M116-L124 HydrophobicContact CE-CB 4.29Å; M116-L124 HydrophobicContact CE-CD2 3.92Å; M116-L124 HydrophobicContact SD-CD2 4.24Å; E120-L124 WeakPolarHBondContact O-CB 3.35Å; E120-L124 PolarHBondContact O-N 2.8Å; V121-L124 PolarHBondContact O-N 2.94Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 3.36Å; L124-R126 PolarHBondContact O-N 3.13Å; L124-G127 PolarHBondContact O-N 2.86Å; L124-Y128 WeakPolarHBondContact O-CB 3.44Å; L124-Y128 PolarHBondContact O-N 3.31Å |
| 125 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | V121 E122 Y128 V129 | V121-S125 WeakPolarHBondContact O-CB 3.24Å; V121-S125 PolarHBondContact O-N 3.39Å; V121-S125 PolarHBondContact O-OG 3.48Å; E122-S125 WeakPolarHBondContact O-CB 3.48Å; E122-S125 PolarHBondContact O-N 2.83Å; E122-S125 VanDerWaalsContact O-N 3.11Å; S125-Y128 PolarHBondContact O-N 2.88Å; S125-V129 PolarHBondContact O-N 2.82Å |
| 126 | R | 98.8 | Very high | 98.1 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 18% | 0.177 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 174.1 | -66 | 179.5 | 177.9 | -74.7 | -1.1 | 112 | E122 L124 Y128 V129 R130 D159 E160 | E122-R126 HydrophobicContact CG-CG 4.44Å; E122-R126 WeakPolarHBondContact O-CG 3.37Å; E122-R126 PolarHBondContact O-N 3.43Å; E122-R126 IonicContact OE1-CZ 3.59Å; E122-R126 IonicContact OE1-NE 3.02Å; E122-R126 PolarHBondContact OE1-NE 3.09Å; E122-R126 IonicContact OE1-NH2 2.87Å; E122-R126 PolarHBondContact OE1-NH2 3.33Å; L124-R126 PolarHBondContact O-N 3.13Å; R126-Y128 VanDerWaalsContact C-N 3.33Å; R126-Y128 PolarHBondContact O-N 2.7Å; R126-V129 PolarHBondContact O-N 2.85Å; R126-R130 WeakPolarHBondContact O-CG 3.48Å; R126-R130 PolarHBondContact O-N 2.96Å; R126-R130 VanDerWaalsContact O-N 3.1Å; R126-R130 PolarHBondContact O-NE 2.84Å; R126-D159 IonicContact CZ-OD2 3.3Å; R126-D159 VanDerWaalsContact CZ-OD2 3.25Å; R126-D159 IonicContact NH1-OD2 2.78Å; R126-D159 PolarHBondContact NH1-OD2 3.13Å; R126-D159 IonicContact NH2-OD2 2.85Å; R126-D159 PolarHBondContact NH2-OD2 3.05Å; R126-E160 HydrophobicContact CB-CB 4.39Å; R126-E160 HydrophobicContact CB-CG 3.99Å; R126-E160 WeakPolarHBondContact CB-OE2 3.43Å; R126-E160 VanDerWaalsContact CD-OE2 3.29Å; R126-E160 WeakPolarHBondContact CD-OE2 3.5Å; R126-E160 HydrophobicContact CG-CB 4.19Å; R126-E160 HydrophobicContact CG-CG 4.28Å; R126-E160 VanDerWaalsContact CG-OE2 3.27Å; R126-E160 WeakPolarHBondContact CG-OE2 3.33Å; R126-E160 IonicContact CZ-OE2 2.83Å; R126-E160 IonicContact NE-OE2 3.25Å; R126-E160 IonicContact NH1-OE2 2.62Å; R126-E160 PolarHBondContact NH1-OE2 3.17Å |
| 127 | G | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | R123 L124 R130 A131 | R123-G127 PolarHBondContact O-N 3.3Å; L124-G127 PolarHBondContact O-N 2.86Å; G127-R130 VanDerWaalsContact N-NH2 3.17Å; G127-R130 PolarHBondContact O-N 3.05Å; G127-A131 WeakPolarHBondContact O-CB 3.47Å; G127-A131 PolarHBondContact O-N 3.18Å |
| 128 | Y | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -49.1 | 176.8 | -179.1 | -113.9 | 0 | 0 | 0 | 112 | V41 I43 Y58 R59 V73 I109 L124 S125 R126 R130 A131 I132 M157 | V41-Y128 HydrophobicContact CG2-CD2 4.34Å; V41-Y128 HydrophobicContact CG2-CE2 4.46Å; I43-Y128 HydrophobicContact CD1-CD2 3.72Å; I43-Y128 HydrophobicContact CD1-CG 4.33Å; Y58-Y128 PolarHBondContact O-OH 2.87Å; R59-Y128 WeakPolarHBondContact CD-OH 3.23Å; V73-Y128 HydrophobicContact CB-CE1 4.49Å; V73-Y128 HydrophobicContact CG1-CD1 4.41Å; V73-Y128 HydrophobicContact CG1-CE1 3.76Å; V73-Y128 HydrophobicContact CG2-CE1 3.89Å; I109-Y128 HydrophobicContact CD1-CD1 4.32Å; I109-Y128 HydrophobicContact CD1-CD2 3.76Å; I109-Y128 HydrophobicContact CD1-CE2 4.47Å; I109-Y128 HydrophobicContact CD1-CG 3.66Å; I109-Y128 HydrophobicContact CG1-CD2 3.94Å; I109-Y128 HydrophobicContact CG1-CE2 4.2Å; I109-Y128 HydrophobicContact CG1-CG 4.27Å; L124-Y128 WeakPolarHBondContact O-CB 3.44Å; L124-Y128 PolarHBondContact O-N 3.31Å; S125-Y128 PolarHBondContact O-N 2.88Å; R126-Y128 VanDerWaalsContact C-N 3.33Å; R126-Y128 PolarHBondContact O-N 2.7Å; Y128-R130 PolarHBondContact O-N 2.89Å; Y128-A131 WeakPolarHBondContact O-CB 3.35Å; Y128-A131 PolarHBondContact O-N 2.8Å; Y128-A131 VanDerWaalsContact O-N 3.11Å; Y128-I132 HydrophobicContact CD1-CD1 3.98Å; Y128-I132 HydrophobicContact CD2-CG2 4.2Å; Y128-I132 HydrophobicContact CE1-CD1 3.45Å; Y128-I132 VanDerWaalsContact CE1-CD1 3.45Å; Y128-I132 HydrophobicContact CE2-CD1 4.37Å; Y128-I132 HydrophobicContact CE2-CG2 3.85Å; Y128-I132 WeakPolarHBondContact O-CG1 3.02Å; Y128-I132 PolarHBondContact O-N 3.27Å; Y128-M157 HydrophobicContact CD1-CE 3.83Å; Y128-M157 HydrophobicContact CE1-CE 4.47Å |
| 129 | V | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | S125 R126 A131 I132 S133 M157 E160 Y161 L164 F172 | S125-V129 PolarHBondContact O-N 2.82Å; R126-V129 PolarHBondContact O-N 2.85Å; V129-A131 VanDerWaalsContact C-N 3.28Å; V129-A131 PolarHBondContact O-N 3.19Å; V129-I132 PolarHBondContact O-N 3.14Å; V129-S133 WeakPolarHBondContact O-CA 3.18Å; V129-S133 VanDerWaalsContact O-CB 3.24Å; V129-S133 WeakPolarHBondContact O-CB 3.16Å; V129-S133 PolarHBondContact O-N 2.91Å; V129-M157 HydrophobicContact CG2-CB 3.57Å; V129-M157 HydrophobicContact CG2-CG 3.59Å; V129-M157 HydrophobicContact CG2-SD 4.31Å; V129-E160 HydrophobicContact CB-CB 4.28Å; V129-E160 HydrophobicContact CB-CG 4.18Å; V129-E160 HydrophobicContact CG1-CB 4.12Å; V129-E160 HydrophobicContact CG1-CG 4.1Å; V129-Y161 HydrophobicContact CG1-CD2 4.36Å; V129-L164 HydrophobicContact CG1-CD1 4.36Å; V129-F172 HydrophobicContact CG1-CE1 4.36Å; V129-F172 HydrophobicContact CG1-CZ 4.39Å; V129-F172 HydrophobicContact CG2-CE1 4.22Å; V129-F172 HydrophobicContact CG2-CZ 4.31Å |
| 130 | R | 98.7 | Very high | 98.2 | Very high | 124 Ų | 124 | 43.7 Ų | 43.7 | 47% | 0.468 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.1 | -45 | 175.3 | -73.4 | 173.7 | -73.4 | 170.2 | -2.3 | 111.8 | R126 G127 Y128 I132 S133 E160 L164 | R126-R130 WeakPolarHBondContact O-CG 3.48Å; R126-R130 PolarHBondContact O-N 2.96Å; R126-R130 VanDerWaalsContact O-N 3.1Å; R126-R130 PolarHBondContact O-NE 2.84Å; G127-R130 VanDerWaalsContact N-NH2 3.17Å; G127-R130 PolarHBondContact O-N 3.05Å; Y128-R130 PolarHBondContact O-N 2.89Å; R130-I132 PolarHBondContact O-N 3.31Å; R130-S133 PolarHBondContact O-OG 3.02Å; R130-E160 WeakPolarHBondContact CD-OE1 2.87Å; R130-E160 HydrophobicContact CG-CG 4.12Å; R130-E160 WeakPolarHBondContact CG-OE1 3.44Å; R130-E160 IonicContact NE-OE1 3.51Å; R130-E160 PolarHBondContact NE-OE1 3.07Å; R130-L164 HydrophobicContact CG-CD1 4.11Å |
| 131 | A | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 42.8 Ų | 42.8 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.3 | -30.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V41 G127 Y128 V129 | V41-A131 HydrophobicContact CB-CB 3.92Å; V41-A131 HydrophobicContact CG1-CB 4.05Å; V41-A131 HydrophobicContact CG2-CB 3.99Å; G127-A131 WeakPolarHBondContact O-CB 3.47Å; G127-A131 PolarHBondContact O-N 3.18Å; Y128-A131 WeakPolarHBondContact O-CB 3.35Å; Y128-A131 PolarHBondContact O-N 2.8Å; Y128-A131 VanDerWaalsContact O-N 3.11Å; V129-A131 VanDerWaalsContact C-N 3.28Å; V129-A131 PolarHBondContact O-N 3.19Å |
| 132 | I | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -104 | -9.1 | -178.2 | 72.3 | 175.2 | 0 | 0 | 0 | 114.2 | L39 V41 Y128 V129 R130 Q134 F135 V136 | L39-I132 HydrophobicContact CD2-CB 4.25Å; L39-I132 HydrophobicContact CD2-CG2 3.99Å; V41-I132 HydrophobicContact CG1-CG2 4.24Å; V41-I132 HydrophobicContact CG2-CG2 4.28Å; Y128-I132 HydrophobicContact CD1-CD1 3.98Å; Y128-I132 HydrophobicContact CD2-CG2 4.2Å; Y128-I132 HydrophobicContact CE1-CD1 3.45Å; Y128-I132 VanDerWaalsContact CE1-CD1 3.45Å; Y128-I132 HydrophobicContact CE2-CD1 4.37Å; Y128-I132 HydrophobicContact CE2-CG2 3.85Å; Y128-I132 WeakPolarHBondContact O-CG1 3.02Å; Y128-I132 PolarHBondContact O-N 3.27Å; V129-I132 PolarHBondContact O-N 3.14Å; R130-I132 PolarHBondContact O-N 3.31Å; I132-Q134 PolarHBondContact O-N 3.33Å; I132-F135 PolarHBondContact O-N 2.83Å; I132-V136 HydrophobicContact CB-CG1 4.3Å; I132-V136 HydrophobicContact CD1-CG1 3.77Å; I132-V136 HydrophobicContact CD1-CG2 4.21Å; I132-V136 HydrophobicContact CG1-CG1 3.96Å; I132-V136 HydrophobicContact CG1-CG2 3.87Å; I132-V136 PolarHBondContact O-N 2.89Å |
| 133 | S | 97.7 | Very high | 98.2 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -30.5 | -170.8 | 57.5 | 0 | 0 | 0 | 0 | 115.5 | V129 R130 F135 | V129-S133 WeakPolarHBondContact O-CA 3.18Å; V129-S133 VanDerWaalsContact O-CB 3.24Å; V129-S133 WeakPolarHBondContact O-CB 3.16Å; V129-S133 PolarHBondContact O-N 2.91Å; R130-S133 PolarHBondContact O-OG 3.02Å; S133-F135 VanDerWaalsContact C-N 3.27Å; S133-F135 PolarHBondContact O-N 3.49Å |
| 134 | Q | 96.9 | Very high | 98.1 | Very high | 151 Ų | 151 | 36.5 Ų | 36.5 | 71% | 0.706 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -28.1 | 178.9 | -65.5 | -178.8 | -41.9 | 0 | 0 | 113.3 | I132 K140 | I132-Q134 PolarHBondContact O-N 3.33Å; Q134-K140 PolarHBondContact O-NZ 2.87Å |
| 135 | F | 96.8 | Very high | 97.9 | Very high | 87 Ų | 87 | 37.9 Ų | 37.9 | 38% | 0.382 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -3.7 | -172.3 | -60.9 | -81.3 | 0 | 0 | 0 | 113.8 | L39 Q61 I132 S133 | L39-F135 HydrophobicContact CD1-CE2 4.44Å; L39-F135 HydrophobicContact CD2-CD2 3.79Å; L39-F135 HydrophobicContact CD2-CE2 4.28Å; Q61-F135 PolarHBondContact NE2-O 3.22Å; I132-F135 PolarHBondContact O-N 2.83Å; S133-F135 VanDerWaalsContact C-N 3.27Å; S133-F135 PolarHBondContact O-N 3.49Å |
| 136 | V | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | trans | -120.7 | 164.8 | -176.8 | -55 | 0 | 0 | 0 | 0 | 112.3 | I132 D141 Y161 F172 | I132-V136 HydrophobicContact CB-CG1 4.3Å; I132-V136 HydrophobicContact CD1-CG1 3.77Å; I132-V136 HydrophobicContact CD1-CG2 4.21Å; I132-V136 HydrophobicContact CG1-CG1 3.96Å; I132-V136 HydrophobicContact CG1-CG2 3.87Å; I132-V136 PolarHBondContact O-N 2.89Å; V136-D141 HydrophobicContact CB-CB 4.25Å; V136-D141 HydrophobicContact CG1-CB 4.05Å; V136-D141 WeakPolarHBondContact CG1-OD2 3.32Å; V136-Y161 HydrophobicContact CG2-CD2 4.38Å; V136-Y161 HydrophobicContact CG2-CE2 4.16Å; V136-Y161 PolarHBondContact O-OH 3.24Å; V136-F172 HydrophobicContact CB-CE2 3.84Å; V136-F172 HydrophobicContact CG2-CD2 4.42Å; V136-F172 HydrophobicContact CG2-CE2 3.42Å; V136-F172 VanDerWaalsContact CG2-CE2 3.42Å; V136-F172 HydrophobicContact CG2-CZ 3.98Å | ||
| 137 | G | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | 151.5 | 165.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N139 K140 D141 Y161 | G137-N139 PolarHBondContact O-N 2.82Å; G137-K140 PolarHBondContact O-N 3.33Å; G137-D141 PolarHBondContact N-O 3.31Å; G137-D141 CarbonylContact O-C 3.58Å; G137-D141 PolarHBondContact O-N 2.58Å; G137-D141 VanDerWaalsContact O-O 3.08Å; G137-Y161 VanDerWaalsContact CA-OH 3.3Å; G137-Y161 WeakPolarHBondContact CA-OH 3.47Å |
| 138 | P | 96.8 | Very high | 96.6 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -26.1 | -174.5 | -23.2 | 29.4 | 0 | 0 | 0 | 115.1 | I142 G171 F172 W352 | P138-I142 WeakPolarHBondContact O-CD1 3.38Å; P138-G171 WeakPolarHBondContact CA-O 3.49Å; P138-F172 HydrophobicContact CG-CB 4.29Å; P138-W352 WeakPolarHBondContact O-CZ2 3.39Å; P138-W352 PolarHBondContact O-NE1 3.35Å |
| 139 | N | 97.1 | Very high | 96.3 | Very high | 130 Ų | 130 | 44.1 Ų | 44.1 | 70% | 0.695 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 12.7 | -179.7 | -62.4 | -45 | 0 | 0 | 0 | 113.3 | G137 | G137-N139 PolarHBondContact O-N 2.82Š|
| 140 | K | 98.1 | Very high | 95.9 | Very high | 116 Ų | 116 | 48.2 Ų | 48.2 | 50% | 0.504 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -60.2 | -176.9 | -67.1 | -180 | 177.2 | 176.8 | 0 | 112.2 | P68 T69 Q134 G137 | P68-K140 CarbonylContact C-O 2.93Å; P68-K140 VanDerWaalsContact CA-O 3.29Å; P68-K140 WeakPolarHBondContact CA-O 3.46Å; P68-K140 VanDerWaalsContact CB-C 3.47Å; P68-K140 VanDerWaalsContact CB-O 3.24Å; P68-K140 WeakPolarHBondContact CB-O 3.36Å; T69-K140 PolarHBondContact N-O 3.42Å; Q134-K140 PolarHBondContact O-NZ 2.87Å; G137-K140 PolarHBondContact O-N 3.33Å |
| 141 | D | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 124.3 | -176.7 | 177.5 | 19.4 | 0 | 0 | 0 | 108.8 | R59 Q61 T69 V136 G137 | R59-D141 IonicContact CZ-OD1 2.81Å; R59-D141 IonicContact CZ-OD2 2.7Å; R59-D141 IonicContact NE-OD1 3.75Å; R59-D141 IonicContact NE-OD2 3.19Å; R59-D141 PolarHBondContact NE-OD2 3.19Å; R59-D141 IonicContact NH2-OD1 3.54Å; R59-D141 PolarHBondContact NH2-OD1 3.17Å; R59-D141 IonicContact NH2-OD2 2.8Å; R59-D141 PolarHBondContact NH2-OD2 3.22Å; Q61-D141 VanDerWaalsContact NE2-CB 3.27Å; Q61-D141 PolarHBondContact NE2-OD2 3.47Å; T69-D141 CarbonylContact O-C 3.56Å; T69-D141 VanDerWaalsContact O-CA 3.27Å; T69-D141 WeakPolarHBondContact O-CA 3.38Å; T69-D141 WeakPolarHBondContact OG1-CB 3.32Å; T69-D141 PolarHBondContact OG1-OD1 2.95Å; T69-D141 VanDerWaalsContact OG1-OD1 3.11Å; V136-D141 HydrophobicContact CB-CB 4.25Å; V136-D141 HydrophobicContact CG1-CB 4.05Å; V136-D141 WeakPolarHBondContact CG1-OD2 3.32Å; G137-D141 PolarHBondContact N-O 3.31Å; G137-D141 CarbonylContact O-C 3.58Å; G137-D141 PolarHBondContact O-N 2.58Å; G137-D141 VanDerWaalsContact O-O 3.08Å |
| 142 | I | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 101.7 | -169.5 | -57.2 | 96.8 | 0 | 0 | 0 | 109.2 | P68 T69 K70 G71 Y102 P138 F172 T174 | P68-I142 HydrophobicContact CB-CD1 3.61Å; P68-I142 HydrophobicContact CG-CD1 3.63Å; T69-I142 PolarHBondContact O-N 2.98Å; K70-I142 HydrophobicContact CD-CB 3.75Å; K70-I142 HydrophobicContact CD-CG2 3.9Å; K70-I142 VanDerWaalsContact CD-O 3.32Å; K70-I142 WeakPolarHBondContact CD-O 3.5Å; K70-I142 PolarHBondContact NZ-O 2.93Å; G71-I142 PolarHBondContact N-O 3.04Å; Y102-I142 HydrophobicContact CE1-CD1 4.07Å; P138-I142 WeakPolarHBondContact O-CD1 3.38Å; I142-F172 WeakPolarHBondContact CA-O 3.41Å; I142-F172 WeakPolarHBondContact CG2-O 3.34Å; I142-T174 HydrophobicContact CG2-CG2 3.84Å |
| 143 | P | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | trans | -66.4 | 175.9 | 178.6 | -18.8 | 32.9 | 0 | 0 | 0 | 113.8 | K70 G71 V73 F172 I173 T174 | K70-P143 PolarHBondContact NZ-O 3.03Å; G71-P143 WeakPolarHBondContact O-CA 3.04Å; V73-P143 HydrophobicContact CG2-CB 3.86Å; P143-F172 WeakPolarHBondContact CD-O 3.34Å; P143-F172 HydrophobicContact CG-CE2 4.08Å; P143-F172 HydrophobicContact CG-CZ 4.11Å; P143-I173 HydrophobicContact CB-CD1 3.85Å; P143-I173 HydrophobicContact CB-CG1 3.88Å; P143-I173 HydrophobicContact CG-CD1 4.46Å; P143-I173 WeakPolarHBondContact O-CG1 3.38Å; P143-T174 PolarHBondContact O-N 2.89Å; P143-T174 VanDerWaalsContact O-N 3.07Å | ||
| 144 | A | 97.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | trans | -158.9 | 172.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G71 G72 V73 | G71-A144 PolarHBondContact O-N 2.65Å; G72-A144 CarbonylContact C-O 3.51Å; G72-A144 WeakPolarHBondContact CA-O 3.39Å; V73-A144 PolarHBondContact N-O 3.33Å | ||
| 145 | P | 93.2 | Very high | 95.7 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -63 | 153.3 | 167.3 | -21.1 | 31.3 | 0 | 0 | 0 | 112 | T149 M154 T174 | P145-T149 WeakPolarHBondContact CA-OG1 3.2Å; P145-M154 WeakPolarHBondContact CD-SD 3.44Å; P145-M154 HydrophobicContact CG-CG 3.54Å; P145-M154 HydrophobicContact CG-SD 3.9Å; P145-T174 VanDerWaalsContact CD-O 3.27Å; P145-T174 WeakPolarHBondContact CD-O 3.47Å |
| 146 | D | 91.2 | Very high | 95.8 | Very high | 38 Ų | 38 | 35.9 Ų | 35.9 | 20% | 0.203 | 19% | 0.19 | C | C | . | . | trans | -155 | -159.4 | 171 | -151.3 | -91.5 | 0 | 0 | 0 | 108.8 | V73 R74 K106 F148 T149 | V73-D146 WeakPolarHBondContact O-CB 3.4Å; R74-D146 HydrophobicContact CB-CB 4.04Å; R74-D146 IonicContact CZ-OD1 3.77Å; R74-D146 VanDerWaalsContact CZ-OD1 3.3Å; R74-D146 IonicContact NE-OD1 2.73Å; R74-D146 PolarHBondContact NE-OD1 3.41Å; R74-D146 IonicContact NH2-OD1 3.45Å; R74-D146 PolarHBondContact NH2-OD1 3.18Å; K106-D146 WeakPolarHBondContact CE-OD2 3.25Å; K106-D146 IonicContact NZ-OD2 3.43Å; K106-D146 PolarHBondContact NZ-OD2 2.85Å; D146-F148 PolarHBondContact O-N 3.02Å; D146-T149 PolarHBondContact N-OG1 3.27Å; D146-T149 PolarHBondContact O-N 2.96Å; D146-T149 PolarHBondContact O-OG1 3.44Å | ||
| 147 | V | 87.6 | Confident | 95.8 | Very high | 58 Ų | 58 | 35.9 Ų | 35.9 | 35% | 0.352 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 125.4 | -178.3 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | R74 F75 T149 | R74-V147 CarbonylContact C-O 3.6Å; R74-V147 VanDerWaalsContact CA-O 3.26Å; R74-V147 WeakPolarHBondContact CA-O 3.36Å; R74-V147 HydrophobicContact CB-CB 3.95Å; R74-V147 WeakPolarHBondContact CB-O 3.44Å; F75-V147 PolarHBondContact N-O 3.05Å; V147-T149 PolarHBondContact O-N 3.29Å |
| 148 | F | 89.9 | Confident | 95.8 | Very high | 75 Ų | 75 | 37 Ų | 37 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 24.8 | -176.4 | -54.1 | -42 | 0 | 0 | 0 | 116.2 | F75 H76 P113 D146 | F75-F148 HydrophobicContact CB-CB 4.44Å; F75-F148 WeakPolarHBondContact O-CB 3.43Å; F75-F148 VanDerWaalsContact O-CD2 3.24Å; F75-F148 WeakPolarHBondContact O-CD2 3.42Å; H76-F148 AromaticContact CD2-CD2 3.83Å; H76-F148 AromaticContact CD2-CE2 3.45Å; H76-F148 VanDerWaalsContact CD2-CE2 3.45Å; H76-F148 WeakPolarHBondContact CD2-CE2 3.39Å; P113-F148 HydrophobicContact CG-CB 3.5Å; P113-F148 HydrophobicContact CG-CD2 4.14Å; P113-F148 HydrophobicContact CG-CG 4.05Å; D146-F148 PolarHBondContact O-N 3.02Å |
| 149 | T | 92.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 9% | 0.086 | 21% | 0.207 | C | C | . | . | trans | -122.9 | 151.9 | 164.2 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | V73 F75 P145 D146 V147 I153 | V73-T149 WeakPolarHBondContact O-CG2 3.41Å; V73-T149 PolarHBondContact O-OG1 2.78Å; F75-T149 HydrophobicContact CB-CG2 4.05Å; F75-T149 HydrophobicContact CD1-CG2 3.52Å; F75-T149 HydrophobicContact CD2-CG2 4.09Å; F75-T149 HydrophobicContact CE1-CG2 3.88Å; F75-T149 HydrophobicContact CE2-CG2 4.43Å; F75-T149 HydrophobicContact CG-CG2 3.62Å; F75-T149 HydrophobicContact CZ-CG2 4.33Å; P145-T149 WeakPolarHBondContact CA-OG1 3.2Å; D146-T149 PolarHBondContact N-OG1 3.27Å; D146-T149 PolarHBondContact O-N 2.96Å; D146-T149 PolarHBondContact O-OG1 3.44Å; V147-T149 PolarHBondContact O-N 3.29Å; T149-I153 HydrophobicContact CG2-CD1 3.94Å; T149-I153 HydrophobicContact CG2-CG2 4.36Å | ||
| 150 | N | 91.9 | Very high | 96 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 47% | 0.465 | 18% | 0.18 | S | C | . | . | trans | -145.4 | -175.7 | -172.1 | 64.1 | 17.8 | 0 | 0 | 0 | 111 | Q152 I153 M154 | N150-Q152 PolarHBondContact O-N 3.34Å; N150-Q152 WeakPolarHBondContact OD1-CB 3.4Å; N150-Q152 PolarHBondContact OD1-N 3.06Å; N150-Q152 VanDerWaalsContact OD1-N 3.11Å; N150-I153 PolarHBondContact O-N 3.41Å; N150-I153 VanDerWaalsContact O-N 3.09Å; N150-I153 PolarHBondContact OD1-N 3.08Å; N150-I153 VanDerWaalsContact OD1-N 3.14Å; N150-M154 WeakPolarHBondContact O-CG 3.33Å; N150-M154 PolarHBondContact O-N 2.97Å | ||
| 151 | S | 94.1 | Very high | 96 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 35% | 0.35 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.3 | -31.9 | -179.2 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | M154 A155 G175 P177 | S151-M154 PolarHBondContact O-N 2.72Å; S151-A155 WeakPolarHBondContact O-CB 3.22Å; S151-A155 PolarHBondContact O-N 2.66Å; S151-G175 VanDerWaalsContact CA-O 3.27Å; S151-G175 WeakPolarHBondContact CA-O 3.19Å; S151-G175 WeakPolarHBondContact CB-O 3.42Å; S151-P177 WeakPolarHBondContact O-CD 3.34Å |
| 152 | Q | 96 | Very high | 96 | Very high | 80 Ų | 80 | 30.7 Ų | 30.7 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.4 | -178.6 | 59 | 68.5 | 0 | 0 | 111.8 | N150 M154 A155 W156 | N150-Q152 PolarHBondContact O-N 3.34Å; N150-Q152 WeakPolarHBondContact OD1-CB 3.4Å; N150-Q152 PolarHBondContact OD1-N 3.06Å; N150-Q152 VanDerWaalsContact OD1-N 3.11Å; Q152-M154 VanDerWaalsContact C-N 3.34Å; Q152-A155 WeakPolarHBondContact O-CB 3.09Å; Q152-A155 PolarHBondContact O-N 3Å; Q152-W156 HydrophobicContact CG-CD2 4.32Å; Q152-W156 HydrophobicContact CG-CE3 4.39Å; Q152-W156 HydrophobicContact CG-CH2 3.61Å; Q152-W156 HydrophobicContact CG-CZ2 3.54Å; Q152-W156 HydrophobicContact CG-CZ3 4.05Å; Q152-W156 VanDerWaalsContact NE2-NE1 3.16Å; Q152-W156 PolarHBondContact O-N 3.31Å; Q152-W156 VanDerWaalsContact O-N 3.15Å |
| 153 | I | 97.6 | Very high | 96 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.8 | -63.1 | -168.3 | 0 | 0 | 0 | 110.7 | F75 V121 T149 N150 A155 W156 M157 | F75-I153 HydrophobicContact CD2-CD1 3.97Å; F75-I153 HydrophobicContact CE2-CD1 3.76Å; F75-I153 HydrophobicContact CE2-CG2 4.4Å; F75-I153 HydrophobicContact CZ-CD1 4.43Å; F75-I153 HydrophobicContact CZ-CG2 4.14Å; V121-I153 HydrophobicContact CG1-CD1 3.68Å; V121-I153 HydrophobicContact CG1-CG1 4.19Å; T149-I153 HydrophobicContact CG2-CD1 3.94Å; T149-I153 HydrophobicContact CG2-CG2 4.36Å; N150-I153 PolarHBondContact O-N 3.41Å; N150-I153 VanDerWaalsContact O-N 3.09Å; N150-I153 PolarHBondContact OD1-N 3.08Å; N150-I153 VanDerWaalsContact OD1-N 3.14Å; I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 PolarHBondContact O-N 3.34Å; I153-W156 HydrophobicContact CB-CE3 4.49Å; I153-W156 HydrophobicContact CG1-CE3 4.13Å; I153-W156 HydrophobicContact CG1-CZ3 3.95Å; I153-W156 PolarHBondContact O-N 3.02Å; I153-M157 HydrophobicContact CG2-CE 3.64Å; I153-M157 HydrophobicContact CG2-CG 4.42Å; I153-M157 HydrophobicContact CG2-SD 4.23Å; I153-M157 WeakPolarHBondContact O-CG 3.47Å; I153-M157 PolarHBondContact O-N 3.47Å |
| 154 | M | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | 176.3 | -58.3 | -58.7 | 91.6 | 0 | 0 | 112.1 | P145 N150 S151 Q152 M157 M158 I173 T174 K176 | P145-M154 WeakPolarHBondContact CD-SD 3.44Å; P145-M154 HydrophobicContact CG-CG 3.54Å; P145-M154 HydrophobicContact CG-SD 3.9Å; N150-M154 WeakPolarHBondContact O-CG 3.33Å; N150-M154 PolarHBondContact O-N 2.97Å; S151-M154 PolarHBondContact O-N 2.72Å; Q152-M154 VanDerWaalsContact C-N 3.34Å; M154-M157 HydrophobicContact CE-SD 3.86Å; M154-M157 PolarHBondContact O-N 3.03Å; M154-M158 WeakPolarHBondContact O-CB 3.5Å; M154-M158 PolarHBondContact O-N 3.3Å; M154-I173 HydrophobicContact CB-CD1 4.33Å; M154-I173 HydrophobicContact CB-CG1 4.48Å; M154-I173 HydrophobicContact CB-CG2 4.47Å; M154-I173 HydrophobicContact CE-CD1 3.91Å; M154-I173 HydrophobicContact CG-CD1 4.41Å; M154-I173 HydrophobicContact CG-CG1 4.5Å; M154-I173 HydrophobicContact SD-CD1 3.28Å; M154-I173 WeakPolarHBondContact SD-CD1 3.47Å; M154-I173 HydrophobicContact SD-CG1 3.52Å; M154-I173 VanDerWaalsContact SD-CG1 3.52Å; M154-T174 WeakPolarHBondContact CG-O 3.34Å; M154-K176 HydrophobicContact CB-CG 4.3Å |
| 155 | A | 98.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | S151 Q152 I153 M157 M158 D159 P177 L180 | S151-A155 WeakPolarHBondContact O-CB 3.22Å; S151-A155 PolarHBondContact O-N 2.66Å; Q152-A155 WeakPolarHBondContact O-CB 3.09Å; Q152-A155 PolarHBondContact O-N 3Å; I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 PolarHBondContact O-N 3.34Å; A155-M157 VanDerWaalsContact C-N 3.33Å; A155-M157 PolarHBondContact O-N 3.16Å; A155-M158 PolarHBondContact O-N 3.19Å; A155-D159 WeakPolarHBondContact O-CB 3.29Å; A155-D159 PolarHBondContact O-N 2.94Å; A155-P177 HydrophobicContact CB-CG 4.25Å; A155-L180 HydrophobicContact CB-CD1 3.51Å |
| 156 | W | 98.8 | Very high | 95.9 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 11% | 0.106 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 176.2 | -65.1 | -41.6 | 0 | 0 | 0 | 112.6 | I118 V121 E122 Q152 I153 E160 | I118-W156 HydrophobicContact CD1-CH2 4.32Å; I118-W156 HydrophobicContact CG1-CH2 3.65Å; I118-W156 HydrophobicContact CG1-CZ2 4.12Å; V121-W156 HydrophobicContact CB-CZ3 4.41Å; V121-W156 HydrophobicContact CG1-CZ3 3.96Å; E122-W156 HydrophobicContact CB-CD2 3.82Å; E122-W156 HydrophobicContact CB-CE3 3.97Å; E122-W156 HydrophobicContact CB-CG 4.42Å; E122-W156 HydrophobicContact CB-CH2 4.03Å; E122-W156 HydrophobicContact CB-CZ2 3.85Å; E122-W156 HydrophobicContact CB-CZ3 4.09Å; E122-W156 HydrophobicContact CG-CD2 3.77Å; E122-W156 HydrophobicContact CG-CE3 4.37Å; E122-W156 HydrophobicContact CG-CG 3.85Å; E122-W156 HydrophobicContact CG-CZ2 4.33Å; Q152-W156 HydrophobicContact CG-CD2 4.32Å; Q152-W156 HydrophobicContact CG-CE3 4.39Å; Q152-W156 HydrophobicContact CG-CH2 3.61Å; Q152-W156 HydrophobicContact CG-CZ2 3.54Å; Q152-W156 HydrophobicContact CG-CZ3 4.05Å; Q152-W156 VanDerWaalsContact NE2-NE1 3.16Å; Q152-W156 PolarHBondContact O-N 3.31Å; Q152-W156 VanDerWaalsContact O-N 3.15Å; I153-W156 HydrophobicContact CB-CE3 4.49Å; I153-W156 HydrophobicContact CG1-CE3 4.13Å; I153-W156 HydrophobicContact CG1-CZ3 3.95Å; I153-W156 PolarHBondContact O-N 3.02Å; W156-E160 WeakPolarHBondContact O-CB 3.22Å; W156-E160 PolarHBondContact O-N 2.95Å |
| 157 | M | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 178 | -70.2 | -172.6 | 177.9 | 0 | 0 | 111.9 | V73 F75 Y128 V129 I153 M154 A155 Y161 F172 I173 | V73-M157 HydrophobicContact CG1-CE 4.48Å; F75-M157 HydrophobicContact CE1-CE 4.03Å; F75-M157 HydrophobicContact CZ-CE 3.83Å; Y128-M157 HydrophobicContact CD1-CE 3.83Å; Y128-M157 HydrophobicContact CE1-CE 4.47Å; V129-M157 HydrophobicContact CG2-CB 3.57Å; V129-M157 HydrophobicContact CG2-CG 3.59Å; V129-M157 HydrophobicContact CG2-SD 4.31Å; I153-M157 HydrophobicContact CG2-CE 3.64Å; I153-M157 HydrophobicContact CG2-CG 4.42Å; I153-M157 HydrophobicContact CG2-SD 4.23Å; I153-M157 WeakPolarHBondContact O-CG 3.47Å; I153-M157 PolarHBondContact O-N 3.47Å; M154-M157 HydrophobicContact CE-SD 3.86Å; M154-M157 PolarHBondContact O-N 3.03Å; A155-M157 VanDerWaalsContact C-N 3.33Å; A155-M157 PolarHBondContact O-N 3.16Å; M157-Y161 WeakPolarHBondContact O-CB 3.35Å; M157-Y161 PolarHBondContact O-N 3.01Å; M157-F172 HydrophobicContact CB-CE1 4.35Å; M157-F172 WeakPolarHBondContact O-CE1 3.38Å; M157-I173 HydrophobicContact CB-CD1 3.63Å; M157-I173 HydrophobicContact CG-CD1 4.28Å; M157-I173 HydrophobicContact SD-CD1 3.71Å |
| 158 | M | 98.6 | Very high | 96.6 | Very high | 24 Ų | 24 | 56.2 Ų | 56.2 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.2 | -173.9 | -151.5 | 66.8 | 0 | 0 | 111.7 | M154 A155 Y161 S162 P170 I173 K176 L180 | M154-M158 WeakPolarHBondContact O-CB 3.5Å; M154-M158 PolarHBondContact O-N 3.3Å; A155-M158 PolarHBondContact O-N 3.19Å; M158-Y161 PolarHBondContact O-N 3.11Å; M158-S162 VanDerWaalsContact O-CB 3.32Å; M158-S162 WeakPolarHBondContact O-CB 3.25Å; M158-S162 PolarHBondContact O-N 3.35Å; M158-S162 PolarHBondContact O-OG 2.87Å; M158-P170 HydrophobicContact SD-CB 4.32Å; M158-I173 HydrophobicContact CB-CG2 3.72Å; M158-I173 HydrophobicContact CG-CG2 4.33Å; M158-K176 HydrophobicContact CB-CD 4.23Å; M158-K176 HydrophobicContact CG-CD 3.99Å; M158-K176 HydrophobicContact SD-CD 3.54Å; M158-K176 VanDerWaalsContact SD-CD 3.54Å; M158-L180 HydrophobicContact CE-CB 4.21Å; M158-L180 HydrophobicContact CE-CD1 4.04Å; M158-L180 HydrophobicContact CE-CD2 4.16Å; M158-L180 HydrophobicContact CE-CG 4.37Å; M158-L180 HydrophobicContact SD-CB 4.21Å |
| 159 | D | 98.8 | Very high | 96.9 | Very high | 74 Ų | 74 | 53.2 Ų | 53.2 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 178.3 | 177.5 | 65.4 | 0 | 0 | 0 | 111.3 | R126 A155 Y161 S162 A163 | R126-D159 IonicContact CZ-OD2 3.3Å; R126-D159 VanDerWaalsContact CZ-OD2 3.25Å; R126-D159 IonicContact NH1-OD2 2.78Å; R126-D159 PolarHBondContact NH1-OD2 3.13Å; R126-D159 IonicContact NH2-OD2 2.85Å; R126-D159 PolarHBondContact NH2-OD2 3.05Å; A155-D159 WeakPolarHBondContact O-CB 3.29Å; A155-D159 PolarHBondContact O-N 2.94Å; D159-Y161 PolarHBondContact O-N 3.26Å; D159-S162 PolarHBondContact O-N 2.61Å; D159-A163 WeakPolarHBondContact O-CB 3.48Å; D159-A163 PolarHBondContact O-N 3.5Å |
| 160 | E | 98.7 | Very high | 97.2 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 178.2 | -167.5 | 71.1 | -166 | 0 | 0 | 111.9 | R126 V129 R130 W156 S162 A163 L164 | R126-E160 HydrophobicContact CB-CB 4.39Å; R126-E160 HydrophobicContact CB-CG 3.99Å; R126-E160 WeakPolarHBondContact CB-OE2 3.43Å; R126-E160 VanDerWaalsContact CD-OE2 3.29Å; R126-E160 WeakPolarHBondContact CD-OE2 3.5Å; R126-E160 HydrophobicContact CG-CB 4.19Å; R126-E160 HydrophobicContact CG-CG 4.28Å; R126-E160 VanDerWaalsContact CG-OE2 3.27Å; R126-E160 WeakPolarHBondContact CG-OE2 3.33Å; R126-E160 IonicContact CZ-OE2 2.83Å; R126-E160 IonicContact NE-OE2 3.25Å; R126-E160 IonicContact NH1-OE2 2.62Å; R126-E160 PolarHBondContact NH1-OE2 3.17Å; V129-E160 HydrophobicContact CB-CB 4.28Å; V129-E160 HydrophobicContact CB-CG 4.18Å; V129-E160 HydrophobicContact CG1-CB 4.12Å; V129-E160 HydrophobicContact CG1-CG 4.1Å; R130-E160 WeakPolarHBondContact CD-OE1 2.87Å; R130-E160 HydrophobicContact CG-CG 4.12Å; R130-E160 WeakPolarHBondContact CG-OE1 3.44Å; R130-E160 IonicContact NE-OE1 3.51Å; R130-E160 PolarHBondContact NE-OE1 3.07Å; W156-E160 WeakPolarHBondContact O-CB 3.22Å; W156-E160 PolarHBondContact O-N 2.95Å; E160-S162 PolarHBondContact O-N 3.09Å; E160-A163 PolarHBondContact O-N 3.49Å; E160-L164 WeakPolarHBondContact O-CG 3.41Å; E160-L164 PolarHBondContact O-N 3.18Å; E160-L164 VanDerWaalsContact O-N 3.1Å |
| 161 | Y | 98.7 | Very high | 97.5 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 178.1 | -173.6 | -83.6 | 0 | 0 | 0 | 111.4 | V129 V136 G137 M157 M158 D159 A163 L164 D165 F172 | V129-Y161 HydrophobicContact CG1-CD2 4.36Å; V136-Y161 HydrophobicContact CG2-CD2 4.38Å; V136-Y161 HydrophobicContact CG2-CE2 4.16Å; V136-Y161 PolarHBondContact O-OH 3.24Å; G137-Y161 VanDerWaalsContact CA-OH 3.3Å; G137-Y161 WeakPolarHBondContact CA-OH 3.47Å; M157-Y161 WeakPolarHBondContact O-CB 3.35Å; M157-Y161 PolarHBondContact O-N 3.01Å; M158-Y161 PolarHBondContact O-N 3.11Å; D159-Y161 PolarHBondContact O-N 3.26Å; Y161-A163 VanDerWaalsContact C-N 3.31Å; Y161-A163 PolarHBondContact O-N 2.94Å; Y161-L164 WeakPolarHBondContact O-CB 3.34Å; Y161-L164 PolarHBondContact O-N 2.84Å; Y161-L164 VanDerWaalsContact O-N 3.15Å; Y161-D165 HydrophobicContact CD1-CB 4.25Å; Y161-D165 HydrophobicContact CE1-CB 3.96Å; Y161-D165 WeakPolarHBondContact O-CB 3.47Å; Y161-D165 PolarHBondContact O-N 3.49Å; Y161-F172 VanDerWaalsContact CB-CE1 3.48Å; Y161-F172 HydrophobicContact CD1-CB 3.78Å; Y161-F172 HydrophobicContact CD1-CD1 4.08Å; Y161-F172 HydrophobicContact CD1-CD2 4.19Å; Y161-F172 AromaticContact CD1-CG 3.73Å; Y161-F172 HydrophobicContact CD1-CG 3.73Å; Y161-F172 HydrophobicContact CD2-CD1 4Å; Y161-F172 AromaticContact CD2-CD2 3.62Å; Y161-F172 HydrophobicContact CD2-CD2 3.62Å; Y161-F172 AromaticContact CD2-CE1 3.98Å; Y161-F172 HydrophobicContact CD2-CE1 3.98Å; Y161-F172 AromaticContact CD2-CE2 3.63Å; Y161-F172 HydrophobicContact CD2-CE2 3.63Å; Y161-F172 AromaticContact CD2-CG 3.83Å; Y161-F172 HydrophobicContact CD2-CG 3.83Å; Y161-F172 AromaticContact CD2-CZ 3.79Å; Y161-F172 HydrophobicContact CD2-CZ 3.79Å; Y161-F172 HydrophobicContact CE1-CB 4.15Å; Y161-F172 HydrophobicContact CE1-CD2 4.39Å; Y161-F172 HydrophobicContact CE1-CG 4.25Å; Y161-F172 AromaticContact CE2-CD2 3.82Å; Y161-F172 HydrophobicContact CE2-CD2 3.82Å; Y161-F172 AromaticContact CE2-CE2 3.99Å; Y161-F172 HydrophobicContact CE2-CE2 3.99Å; Y161-F172 HydrophobicContact CE2-CG 4.32Å; Y161-F172 HydrophobicContact CG-CB 4.1Å; Y161-F172 AromaticContact CG-CD1 3.52Å; Y161-F172 HydrophobicContact CG-CD1 3.52Å; Y161-F172 AromaticContact CG-CD2 3.83Å; Y161-F172 HydrophobicContact CG-CD2 3.83Å; Y161-F172 AromaticContact CG-CE1 3.85Å; Y161-F172 HydrophobicContact CG-CE1 3.85Å; Y161-F172 HydrophobicContact CG-CE2 4.16Å; Y161-F172 AromaticContact CG-CG 3.51Å; Y161-F172 HydrophobicContact CG-CG 3.51Å; Y161-F172 HydrophobicContact CG-CZ 4.16Å |
| 162 | S | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 177.7 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | M158 D159 E160 L164 D165 K166 F167 S169 | M158-S162 VanDerWaalsContact O-CB 3.32Å; M158-S162 WeakPolarHBondContact O-CB 3.25Å; M158-S162 PolarHBondContact O-N 3.35Å; M158-S162 PolarHBondContact O-OG 2.87Å; D159-S162 PolarHBondContact O-N 2.61Å; E160-S162 PolarHBondContact O-N 3.09Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact O-N 3.32Å; S162-D165 PolarHBondContact O-N 3.01Å; S162-K166 PolarHBondContact O-N 3.04Å; S162-F167 CarbonylContact C-O 3.57Å; S162-F167 WeakPolarHBondContact CA-O 3.31Å; S162-F167 WeakPolarHBondContact CB-O 3.44Å; S162-F167 PolarHBondContact O-N 3.35Å; S162-S169 PolarHBondContact OG-N 3.35Å; S162-S169 VanDerWaalsContact OG-N 3.07Å |
| 163 | A | 98 | Very high | 97.8 | Very high | 53 Ų | 53 | 44 Ų | 44 | 44% | 0.438 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.9 | -33.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D159 E160 Y161 K166 | D159-A163 WeakPolarHBondContact O-CB 3.48Å; D159-A163 PolarHBondContact O-N 3.5Å; E160-A163 PolarHBondContact O-N 3.49Å; Y161-A163 VanDerWaalsContact C-N 3.31Å; Y161-A163 PolarHBondContact O-N 2.94Å; A163-K166 WeakPolarHBondContact O-CD 3.39Å; A163-K166 WeakPolarHBondContact O-CE 3.45Å; A163-K166 PolarHBondContact O-NZ 3.07Å |
| 164 | L | 97.6 | Very high | 97.8 | Very high | 78 Ų | 78 | 43.7 Ų | 43.7 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.9 | -45.4 | 174.2 | -66.7 | 171.3 | 0 | 0 | 0 | 111.6 | V129 R130 E160 Y161 S162 K166 | V129-L164 HydrophobicContact CG1-CD1 4.36Å; R130-L164 HydrophobicContact CG-CD1 4.11Å; E160-L164 WeakPolarHBondContact O-CG 3.41Å; E160-L164 PolarHBondContact O-N 3.18Å; E160-L164 VanDerWaalsContact O-N 3.1Å; Y161-L164 WeakPolarHBondContact O-CB 3.34Å; Y161-L164 PolarHBondContact O-N 2.84Å; Y161-L164 VanDerWaalsContact O-N 3.15Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact O-N 3.32Å; L164-K166 VanDerWaalsContact C-N 3.3Å; L164-K166 PolarHBondContact O-N 3.27Å |
| 165 | D | 94.6 | Very high | 97.7 | Very high | 69 Ų | 69 | 44 Ų | 44 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.8 | -16 | -176.5 | -158.7 | 31.9 | 0 | 0 | 0 | 113.2 | Y161 S162 F167 S169 | Y161-D165 HydrophobicContact CD1-CB 4.25Å; Y161-D165 HydrophobicContact CE1-CB 3.96Å; Y161-D165 WeakPolarHBondContact O-CB 3.47Å; Y161-D165 PolarHBondContact O-N 3.49Å; S162-D165 PolarHBondContact O-N 3.01Å; D165-F167 VanDerWaalsContact O-CD2 3.32Å; D165-F167 WeakPolarHBondContact O-CD2 3.3Å; D165-F167 PolarHBondContact O-N 3.15Å; D165-S169 PolarHBondContact OD2-OG 3.05Å |
| 166 | K | 96.4 | Very high | 97.7 | Very high | 162 Ų | 162 | 43.9 Ų | 43.9 | 70% | 0.704 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 16.8 | -177.7 | -49 | -58.7 | 174.6 | -162.3 | 0 | 114.8 | S162 A163 L164 | S162-K166 PolarHBondContact O-N 3.04Å; A163-K166 WeakPolarHBondContact O-CD 3.39Å; A163-K166 WeakPolarHBondContact O-CE 3.45Å; A163-K166 PolarHBondContact O-NZ 3.07Å; L164-K166 VanDerWaalsContact C-N 3.3Å; L164-K166 PolarHBondContact O-N 3.27Å |
| 167 | F | 95.7 | Very high | 97.6 | Very high | 155 Ų | 155 | 44.2 Ų | 44.2 | 68% | 0.68 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -140 | 155.3 | 172.2 | -62.9 | -83 | 0 | 0 | 0 | 109.4 | S162 D165 S169 | S162-F167 CarbonylContact C-O 3.57Å; S162-F167 WeakPolarHBondContact CA-O 3.31Å; S162-F167 WeakPolarHBondContact CB-O 3.44Å; S162-F167 PolarHBondContact O-N 3.35Å; D165-F167 VanDerWaalsContact O-CD2 3.32Å; D165-F167 WeakPolarHBondContact O-CD2 3.3Å; D165-F167 PolarHBondContact O-N 3.15Å; F167-S169 PolarHBondContact O-N 2.81Å; F167-S169 PolarHBondContact O-OG 2.85Å |
| 168 | N | 96.6 | Very high | 97.5 | Very high | 150 Ų | 150 | 48.2 Ų | 48.2 | 80% | 0.802 | 25% | 0.253 | S | S | * | . | trans | -70.1 | 114.3 | 171.1 | -69.6 | -9.5 | 0 | 0 | 0 | 108.6 | P170 | N168-P170 WeakPolarHBondContact O-CD 3.28Š| ||
| 169 | S | 97 | Very high | 97.5 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | trans | -115.7 | 64.8 | -171.6 | -68.6 | 0 | 0 | 0 | 0 | 111.2 | S162 D165 F167 G171 F172 | S162-S169 PolarHBondContact OG-N 3.35Å; S162-S169 VanDerWaalsContact OG-N 3.07Å; D165-S169 PolarHBondContact OD2-OG 3.05Å; F167-S169 PolarHBondContact O-N 2.81Å; F167-S169 PolarHBondContact O-OG 2.85Å; S169-G171 PolarHBondContact O-N 3.13Å; S169-F172 VanDerWaalsContact O-CB 3.23Å; S169-F172 WeakPolarHBondContact O-CB 3.44Å; S169-F172 PolarHBondContact O-N 2.86Å | ||
| 170 | P | 97.7 | Very high | 97.4 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -64.6 | -25.4 | -174.8 | 29.4 | -37.1 | 0 | 0 | 0 | 112.8 | M158 N168 F172 K176 N355 | M158-P170 HydrophobicContact SD-CB 4.32Å; N168-P170 WeakPolarHBondContact O-CD 3.28Å; P170-F172 PolarHBondContact O-N 3.48Å; P170-K176 WeakPolarHBondContact O-CE 3.5Å; P170-K176 PolarHBondContact O-NZ 3.38Å; P170-N355 WeakPolarHBondContact CB-OD1 3.25Å; P170-N355 HydrophobicContact CG-CB 4.41Å |
| 171 | G | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 52 Ų | 52 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -70.8 | -5.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | P138 S169 I173 W352 | P138-G171 WeakPolarHBondContact CA-O 3.49Å; S169-G171 PolarHBondContact O-N 3.13Å; G171-I173 VanDerWaalsContact C-N 3.32Å; G171-I173 PolarHBondContact O-N 3.29Å; G171-W352 VanDerWaalsContact O-CD1 3.22Å |
| 172 | F | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -64.9 | -37.4 | 179.1 | 162.6 | -121.9 | 0 | 0 | 0 | 112 | V129 V136 P138 I142 P143 M157 Y161 S169 P170 | V129-F172 HydrophobicContact CG1-CE1 4.36Å; V129-F172 HydrophobicContact CG1-CZ 4.39Å; V129-F172 HydrophobicContact CG2-CE1 4.22Å; V129-F172 HydrophobicContact CG2-CZ 4.31Å; V136-F172 HydrophobicContact CB-CE2 3.84Å; V136-F172 HydrophobicContact CG2-CD2 4.42Å; V136-F172 HydrophobicContact CG2-CE2 3.42Å; V136-F172 VanDerWaalsContact CG2-CE2 3.42Å; V136-F172 HydrophobicContact CG2-CZ 3.98Å; P138-F172 HydrophobicContact CG-CB 4.29Å; I142-F172 WeakPolarHBondContact CA-O 3.41Å; I142-F172 WeakPolarHBondContact CG2-O 3.34Å; P143-F172 WeakPolarHBondContact CD-O 3.34Å; P143-F172 HydrophobicContact CG-CE2 4.08Å; P143-F172 HydrophobicContact CG-CZ 4.11Å; M157-F172 HydrophobicContact CB-CE1 4.35Å; M157-F172 WeakPolarHBondContact O-CE1 3.38Å; Y161-F172 VanDerWaalsContact CB-CE1 3.48Å; Y161-F172 HydrophobicContact CD1-CB 3.78Å; Y161-F172 HydrophobicContact CD1-CD1 4.08Å; Y161-F172 HydrophobicContact CD1-CD2 4.19Å; Y161-F172 AromaticContact CD1-CG 3.73Å; Y161-F172 HydrophobicContact CD1-CG 3.73Å; Y161-F172 HydrophobicContact CD2-CD1 4Å; Y161-F172 AromaticContact CD2-CD2 3.62Å; Y161-F172 HydrophobicContact CD2-CD2 3.62Å; Y161-F172 AromaticContact CD2-CE1 3.98Å; Y161-F172 HydrophobicContact CD2-CE1 3.98Å; Y161-F172 AromaticContact CD2-CE2 3.63Å; Y161-F172 HydrophobicContact CD2-CE2 3.63Å; Y161-F172 AromaticContact CD2-CG 3.83Å; Y161-F172 HydrophobicContact CD2-CG 3.83Å; Y161-F172 AromaticContact CD2-CZ 3.79Å; Y161-F172 HydrophobicContact CD2-CZ 3.79Å; Y161-F172 HydrophobicContact CE1-CB 4.15Å; Y161-F172 HydrophobicContact CE1-CD2 4.39Å; Y161-F172 HydrophobicContact CE1-CG 4.25Å; Y161-F172 AromaticContact CE2-CD2 3.82Å; Y161-F172 HydrophobicContact CE2-CD2 3.82Å; Y161-F172 AromaticContact CE2-CE2 3.99Å; Y161-F172 HydrophobicContact CE2-CE2 3.99Å; Y161-F172 HydrophobicContact CE2-CG 4.32Å; Y161-F172 HydrophobicContact CG-CB 4.1Å; Y161-F172 AromaticContact CG-CD1 3.52Å; Y161-F172 HydrophobicContact CG-CD1 3.52Å; Y161-F172 AromaticContact CG-CD2 3.83Å; Y161-F172 HydrophobicContact CG-CD2 3.83Å; Y161-F172 AromaticContact CG-CE1 3.85Å; Y161-F172 HydrophobicContact CG-CE1 3.85Å; Y161-F172 HydrophobicContact CG-CE2 4.16Å; Y161-F172 AromaticContact CG-CG 3.51Å; Y161-F172 HydrophobicContact CG-CG 3.51Å; Y161-F172 HydrophobicContact CG-CZ 4.16Å; S169-F172 VanDerWaalsContact O-CB 3.23Å; S169-F172 WeakPolarHBondContact O-CB 3.44Å; S169-F172 PolarHBondContact O-N 2.86Å; P170-F172 PolarHBondContact O-N 3.48Å |
| 173 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -142.6 | 145.3 | -171.5 | -161.8 | 163.2 | 0 | 0 | 0 | 110 | P143 M154 M157 M158 G171 K176 | P143-I173 HydrophobicContact CB-CD1 3.85Å; P143-I173 HydrophobicContact CB-CG1 3.88Å; P143-I173 HydrophobicContact CG-CD1 4.46Å; P143-I173 WeakPolarHBondContact O-CG1 3.38Å; M154-I173 HydrophobicContact CB-CD1 4.33Å; M154-I173 HydrophobicContact CB-CG1 4.48Å; M154-I173 HydrophobicContact CB-CG2 4.47Å; M154-I173 HydrophobicContact CE-CD1 3.91Å; M154-I173 HydrophobicContact CG-CD1 4.41Å; M154-I173 HydrophobicContact CG-CG1 4.5Å; M154-I173 HydrophobicContact SD-CD1 3.28Å; M154-I173 WeakPolarHBondContact SD-CD1 3.47Å; M154-I173 HydrophobicContact SD-CG1 3.52Å; M154-I173 VanDerWaalsContact SD-CG1 3.52Å; M157-I173 HydrophobicContact CB-CD1 3.63Å; M157-I173 HydrophobicContact CG-CD1 4.28Å; M157-I173 HydrophobicContact SD-CD1 3.71Å; M158-I173 HydrophobicContact CB-CG2 3.72Å; M158-I173 HydrophobicContact CG-CG2 4.33Å; G171-I173 VanDerWaalsContact C-N 3.32Å; G171-I173 PolarHBondContact O-N 3.29Å; I173-K176 HydrophobicContact CG2-CD 3.95Å; I173-K176 HydrophobicContact CG2-CG 4Å; I173-K176 PolarHBondContact O-NZ 3.5Å | ||
| 174 | T | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -108.2 | 171.6 | 177.1 | 67.9 | 0 | 0 | 0 | 0 | 111.2 | K70 I142 P143 P145 M154 S348 E351 W352 | K70-T174 WeakPolarHBondContact CE-OG1 3.49Å; K70-T174 PolarHBondContact NZ-OG1 3.33Å; I142-T174 HydrophobicContact CG2-CG2 3.84Å; P143-T174 PolarHBondContact O-N 2.89Å; P143-T174 VanDerWaalsContact O-N 3.07Å; P145-T174 VanDerWaalsContact CD-O 3.27Å; P145-T174 WeakPolarHBondContact CD-O 3.47Å; M154-T174 WeakPolarHBondContact CG-O 3.34Å; T174-S348 VanDerWaalsContact CG2-O 3.24Å; T174-S348 WeakPolarHBondContact CG2-O 3.41Å; T174-S348 VanDerWaalsContact OG1-CB 3.31Å; T174-S348 WeakPolarHBondContact OG1-CB 3.34Å; T174-S348 PolarHBondContact OG1-OG 3.04Å; T174-E351 VanDerWaalsContact CA-OE1 3.25Å; T174-E351 WeakPolarHBondContact CA-OE1 3.36Å; T174-E351 HydrophobicContact CG2-CB 4.45Å; T174-W352 HydrophobicContact CG2-CB 4.25Å |
| 175 | G | 96.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 77 | 27.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S151 E351 | S151-G175 VanDerWaalsContact CA-O 3.27Å; S151-G175 WeakPolarHBondContact CA-O 3.19Å; S151-G175 WeakPolarHBondContact CB-O 3.42Å; G175-E351 VanDerWaalsContact N-CD 3.27Å; G175-E351 PolarHBondContact N-OE1 3.24Å; G175-E351 PolarHBondContact N-OE2 2.9Å |
| 176 | K | 97.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | trans | -79 | 161.2 | -179.7 | -61.6 | -176.1 | -59.1 | -61.5 | 0 | 111.6 | M154 M158 P170 I173 L180 G181 G182 E351 N355 | M154-K176 HydrophobicContact CB-CG 4.3Å; M158-K176 HydrophobicContact CB-CD 4.23Å; M158-K176 HydrophobicContact CG-CD 3.99Å; M158-K176 HydrophobicContact SD-CD 3.54Å; M158-K176 VanDerWaalsContact SD-CD 3.54Å; P170-K176 WeakPolarHBondContact O-CE 3.5Å; P170-K176 PolarHBondContact O-NZ 3.38Å; I173-K176 HydrophobicContact CG2-CD 3.95Å; I173-K176 HydrophobicContact CG2-CG 4Å; I173-K176 PolarHBondContact O-NZ 3.5Å; K176-L180 HydrophobicContact CB-CB 4.47Å; K176-L180 WeakPolarHBondContact CE-O 3.36Å; K176-G181 WeakPolarHBondContact CE-O 3.35Å; K176-G181 PolarHBondContact NZ-O 3.44Å; K176-G182 WeakPolarHBondContact O-CA 3.29Å; K176-E351 PolarHBondContact N-OE1 3.47Å; K176-E351 IonicContact NZ-OE1 2.98Å; K176-E351 PolarHBondContact NZ-OE1 2.89Å; K176-N355 PolarHBondContact NZ-ND2 3.07Å | ||
| 177 | P | 96.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | trans | -56.3 | 146.3 | 163.6 | -22.3 | 34.1 | 0 | 0 | 0 | 111 | S151 A155 V179 L180 G182 | S151-P177 WeakPolarHBondContact O-CD 3.34Å; A155-P177 HydrophobicContact CB-CG 4.25Å; P177-V179 HydrophobicContact CB-CG2 4.13Å; P177-V179 PolarHBondContact O-N 2.92Å; P177-L180 HydrophobicContact CG-CD1 4.27Å; P177-L180 PolarHBondContact O-N 3.31Å; P177-G182 PolarHBondContact O-N 2.78Å | ||
| 178 | I | 97.1 | Very high | 95.6 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 43% | 0.431 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -53.2 | -42.3 | -179.6 | -59.9 | -59 | 0 | 0 | 0 | 111.6 | L180 G181 S183 | I178-L180 PolarHBondContact O-N 2.95Å; I178-L180 VanDerWaalsContact O-N 3.07Å; I178-G181 PolarHBondContact O-N 2.65Å; I178-S183 VanDerWaalsContact CD1-C 3.4Å; I178-S183 WeakPolarHBondContact CD1-O 3.42Å |
| 179 | V | 97.5 | Very high | 95.4 | Very high | 136 Ų | 136 | 33.4 Ų | 33.4 | 82% | 0.824 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -64.3 | -12.4 | 179.1 | -60.6 | 0 | 0 | 0 | 0 | 114.7 | P177 | P177-V179 HydrophobicContact CB-CG2 4.13Å; P177-V179 PolarHBondContact O-N 2.92Å |
| 180 | L | 98.1 | Very high | 95.2 | Very high | 67 Ų | 67 | 34.9 Ų | 34.9 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -111.9 | 20.2 | 176.6 | -61.9 | -179 | 0 | 0 | 0 | 112.6 | A155 M158 K176 P177 I178 | A155-L180 HydrophobicContact CB-CD1 3.51Å; M158-L180 HydrophobicContact CE-CB 4.21Å; M158-L180 HydrophobicContact CE-CD1 4.04Å; M158-L180 HydrophobicContact CE-CD2 4.16Å; M158-L180 HydrophobicContact CE-CG 4.37Å; M158-L180 HydrophobicContact SD-CB 4.21Å; K176-L180 HydrophobicContact CB-CB 4.47Å; K176-L180 WeakPolarHBondContact CE-O 3.36Å; P177-L180 HydrophobicContact CG-CD1 4.27Å; P177-L180 PolarHBondContact O-N 3.31Å; I178-L180 PolarHBondContact O-N 2.95Å; I178-L180 VanDerWaalsContact O-N 3.07Å |
| 181 | G | 97.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 29.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | K176 I178 E351 N355 Y360 | K176-G181 WeakPolarHBondContact CE-O 3.35Å; K176-G181 PolarHBondContact NZ-O 3.44Å; I178-G181 PolarHBondContact O-N 2.65Å; G181-E351 WeakPolarHBondContact O-CG 3.32Å; G181-N355 PolarHBondContact O-ND2 2.9Å; G181-N355 PolarHBondContact O-OD1 3.37Å; G181-N355 VanDerWaalsContact O-OD1 3.11Å; G181-Y360 VanDerWaalsContact CA-CE1 3.47Å; G181-Y360 WeakPolarHBondContact CA-OH 3.46Å |
| 182 | G | 97.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 161.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K176 P177 | K176-G182 WeakPolarHBondContact O-CA 3.29Å; P177-G182 PolarHBondContact O-N 2.78Å |
| 183 | S | 97.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -101.6 | 143.2 | 174.6 | -178 | 0 | 0 | 0 | 0 | 111.1 | I178 R186 Q354 | I178-S183 VanDerWaalsContact CD1-C 3.4Å; I178-S183 WeakPolarHBondContact CD1-O 3.42Å; S183-R186 WeakPolarHBondContact O-CB 3.2Å; S183-Q354 PolarHBondContact OG-NE2 3.38Å |
| 184 | H | 94.6 | Very high | 94.8 | Very high | 73 Ų | 73 | 34.3 Ų | 34.3 | 34% | 0.338 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 152.6 | 166 | -72 | -82.2 | 0 | 0 | 0 | 111.2 | R186 W361 E363 V366 | H184-R186 PolarHBondContact O-N 3.03Å; H184-W361 PolarHBondContact CD2-O 2.98Å; H184-E363 HydrophobicContact CB-CB 4.01Å; H184-E363 HydrophobicContact CB-CG 4.43Å; H184-V366 WeakPolarHBondContact O-CG1 3.4Å |
| 185 | G | 89.5 | Confident | 94.8 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -3.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | D187 R188 S189 | G185-D187 PolarHBondContact O-N 3Å; G185-R188 PolarHBondContact O-N 3.12Å; G185-S189 WeakPolarHBondContact O-CB 3.47Å; G185-S189 PolarHBondContact O-N 3.01Å |
| 186 | R | 88.6 | Confident | 94.9 | Very high | 36 Ų | 36 | 34.3 Ų | 34.3 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -58.9 | -43.4 | -173.1 | -176.9 | 62 | 175.7 | 81.5 | -0.5 | 114.2 | S183 H184 R188 S189 V347 S348 | S183-R186 WeakPolarHBondContact O-CB 3.2Å; H184-R186 PolarHBondContact O-N 3.03Å; R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.23Å; R186-S189 PolarHBondContact O-N 3.5Å; R186-S189 PolarHBondContact O-OG 3.42Å; R186-V347 HydrophobicContact CB-CG1 4.32Å; R186-S348 VanDerWaalsContact CZ-OG 3.26Å; R186-S348 PolarHBondContact NE-OG 3.38Å; R186-S348 PolarHBondContact NH2-OG 2.88Å |
| 187 | D | 84.3 | Confident | 94.9 | Very high | 122 Ų | 122 | 34.1 Ų | 34.1 | 65% | 0.652 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -67.9 | -27.2 | -172.1 | -63.7 | -27.7 | 0 | 0 | 0 | 113.4 | G185 | G185-D187 PolarHBondContact O-N 3Š|
| 188 | R | 90.2 | Very high | 95 | Very high | 64 Ų | 64 | 32.5 Ų | 32.5 | 24% | 0.242 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -108.3 | -2.1 | -178.6 | 72.4 | -161.4 | -162 | -164.5 | -0.8 | 113.8 | G185 R186 T190 A191 L192 F225 F229 E363 N367 | G185-R188 PolarHBondContact O-N 3.12Å; R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.23Å; R188-T190 PolarHBondContact O-N 2.9Å; R188-A191 PolarHBondContact O-N 3.31Å; R188-L192 WeakPolarHBondContact O-CB 2.86Å; R188-L192 PolarHBondContact O-N 3.01Å; R188-F225 HydrophobicContact CB-CD1 4.48Å; R188-F225 HydrophobicContact CB-CG 4.36Å; R188-F229 HydrophobicContact CB-CE2 4.06Å; R188-F229 HydrophobicContact CB-CZ 3.92Å; R188-F229 HydrophobicContact CG-CE2 4.49Å; R188-F229 HydrophobicContact CG-CZ 4Å; R188-E363 IonicContact CZ-OE1 2.65Å; R188-E363 IonicContact NH1-OE1 3.94Å; R188-E363 PolarHBondContact NH1-OE1 2.7Å; R188-E363 IonicContact NH2-OE1 3.95Å; R188-E363 PolarHBondContact NH2-OE1 3.33Å; R188-N367 PolarHBondContact NH2-ND2 3.32Å; R188-N367 VanDerWaalsContact NH2-ND2 3.15Å |
| 189 | S | 92.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | -173.3 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | G185 R186 G193 G344 V347 | G185-S189 WeakPolarHBondContact O-CB 3.47Å; G185-S189 PolarHBondContact O-N 3.01Å; R186-S189 PolarHBondContact O-N 3.5Å; R186-S189 PolarHBondContact O-OG 3.42Å; S189-G193 PolarHBondContact O-N 3.5Å; S189-G344 WeakPolarHBondContact OG-CA 3.43Å; S189-V347 VanDerWaalsContact CB-CG2 3.45Å |
| 190 | T | 92.8 | Very high | 95.1 | Very high | 42 Ų | 42 | 24 Ų | 24 | 26% | 0.258 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -66.1 | -48.1 | 175.3 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | R188 G193 V194 | R188-T190 PolarHBondContact O-N 2.9Å; T190-G193 PolarHBondContact O-N 2.99Å; T190-G193 VanDerWaalsContact O-N 3.16Å; T190-V194 WeakPolarHBondContact O-CG2 3.23Å; T190-V194 PolarHBondContact O-N 2.81Å |
| 191 | A | 94.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R188 G193 V194 V195 F225 L226 F229 | R188-A191 PolarHBondContact O-N 3.31Å; A191-G193 VanDerWaalsContact C-N 3.27Å; A191-G193 PolarHBondContact O-N 3.26Å; A191-V194 WeakPolarHBondContact O-CB 3.21Å; A191-V194 PolarHBondContact O-N 3.46Å; A191-V194 VanDerWaalsContact O-N 3.15Å; A191-V195 WeakPolarHBondContact O-CG2 3.35Å; A191-V195 PolarHBondContact O-N 3.41Å; A191-F225 HydrophobicContact CB-CB 3.55Å; A191-L226 HydrophobicContact CB-CB 4.3Å; A191-F229 HydrophobicContact CB-CD2 4.19Å; A191-F229 HydrophobicContact CB-CE2 4.05Å |
| 192 | L | 95.3 | Very high | 95.1 | Very high | 23 Ų | 23 | 20.7 Ų | 20.7 | 12% | 0.12 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 174.9 | -177.8 | 57 | 0 | 0 | 0 | 111.7 | R188 V195 I196 F229 L370 | R188-L192 WeakPolarHBondContact O-CB 2.86Å; R188-L192 PolarHBondContact O-N 3.01Å; L192-V195 WeakPolarHBondContact O-CB 3.47Å; L192-V195 PolarHBondContact O-N 3Å; L192-I196 HydrophobicContact CD1-CD1 4.48Å; L192-I196 HydrophobicContact CG-CD1 4.13Å; L192-I196 WeakPolarHBondContact O-CD1 3.2Å; L192-I196 VanDerWaalsContact O-CG1 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.17Å; L192-I196 PolarHBondContact O-N 3.32Å; L192-F229 HydrophobicContact CB-CE2 4.18Å; L192-L370 HydrophobicContact CB-CD2 4.44Å; L192-L370 HydrophobicContact CD2-CD2 3.82Å; L192-L370 HydrophobicContact CG-CD2 4.12Å |
| 193 | G | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S189 T190 A191 I196 A197 A340 | S189-G193 PolarHBondContact O-N 3.5Å; T190-G193 PolarHBondContact O-N 2.99Å; T190-G193 VanDerWaalsContact O-N 3.16Å; A191-G193 VanDerWaalsContact C-N 3.27Å; A191-G193 PolarHBondContact O-N 3.26Å; G193-I196 PolarHBondContact O-N 3.37Å; G193-A197 WeakPolarHBondContact O-CB 3.45Å; G193-A197 PolarHBondContact O-N 2.95Å; G193-A340 CarbonylContact C-O 3.25Å |
| 194 | V | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 173.9 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | T190 A191 A197 I198 L226 V290 V312 A314 A340 | T190-V194 WeakPolarHBondContact O-CG2 3.23Å; T190-V194 PolarHBondContact O-N 2.81Å; A191-V194 WeakPolarHBondContact O-CB 3.21Å; A191-V194 PolarHBondContact O-N 3.46Å; A191-V194 VanDerWaalsContact O-N 3.15Å; V194-A197 WeakPolarHBondContact O-CB 3.48Å; V194-A197 PolarHBondContact O-N 2.83Å; V194-I198 HydrophobicContact CG1-CD1 3.99Å; V194-I198 WeakPolarHBondContact O-CG1 3.16Å; V194-I198 PolarHBondContact O-N 3.08Å; V194-L226 HydrophobicContact CB-CD1 4.07Å; V194-L226 HydrophobicContact CG1-CD1 3.68Å; V194-L226 HydrophobicContact CG1-CD2 3.87Å; V194-L226 HydrophobicContact CG1-CG 4.41Å; V194-V290 HydrophobicContact CG1-CG1 4.13Å; V194-V312 HydrophobicContact CG1-CG1 3.87Å; V194-A314 HydrophobicContact CG1-CB 4.28Å; V194-A314 HydrophobicContact CG2-CB 3.74Å; V194-A340 HydrophobicContact CG2-CB 4.47Å; V194-A340 WeakPolarHBondContact CG2-O 3.35Å; V194-A340 PolarHBondContact N-O 3.39Å |
| 195 | V | 97.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 174.5 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | A191 L192 A197 I198 E199 L226 F229 L230 L233 | A191-V195 WeakPolarHBondContact O-CG2 3.35Å; A191-V195 PolarHBondContact O-N 3.41Å; L192-V195 WeakPolarHBondContact O-CB 3.47Å; L192-V195 PolarHBondContact O-N 3Å; V195-A197 VanDerWaalsContact C-N 3.27Å; V195-A197 PolarHBondContact O-N 3.33Å; V195-I198 WeakPolarHBondContact O-CB 3.27Å; V195-I198 PolarHBondContact O-N 2.9Å; V195-I198 VanDerWaalsContact O-N 3.11Å; V195-E199 HydrophobicContact CG1-CG 4.43Å; V195-E199 WeakPolarHBondContact O-CG 3.34Å; V195-E199 PolarHBondContact O-N 2.86Å; V195-L226 HydrophobicContact CG2-CD1 3.6Å; V195-F229 HydrophobicContact CG2-CB 3.55Å; V195-F229 HydrophobicContact CG2-CD2 4.03Å; V195-F229 HydrophobicContact CG2-CG 4.18Å; V195-L230 HydrophobicContact CG1-CD2 4.46Å; V195-L230 HydrophobicContact CG2-CD2 4.41Å; V195-L230 HydrophobicContact CG2-CG 4.4Å; V195-L233 HydrophobicContact CG1-CD1 3.68Å |
| 196 | I | 98 | Very high | 95.5 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 177.3 | -67.5 | 157.3 | 0 | 0 | 0 | 110.4 | L192 G193 I198 E199 Q200 L370 R371 L374 E375 | L192-I196 HydrophobicContact CD1-CD1 4.48Å; L192-I196 HydrophobicContact CG-CD1 4.13Å; L192-I196 WeakPolarHBondContact O-CD1 3.2Å; L192-I196 VanDerWaalsContact O-CG1 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.17Å; L192-I196 PolarHBondContact O-N 3.32Å; G193-I196 PolarHBondContact O-N 3.37Å; I196-I198 VanDerWaalsContact C-N 3.35Å; I196-I198 PolarHBondContact O-N 3.43Å; I196-E199 PolarHBondContact O-N 3.47Å; I196-Q200 WeakPolarHBondContact O-CG 3.48Å; I196-Q200 PolarHBondContact O-N 2.9Å; I196-L370 HydrophobicContact CD1-CG 4.28Å; I196-R371 HydrophobicContact CD1-CB 4.17Å; I196-L374 HydrophobicContact CD1-CD1 3.91Å; I196-L374 HydrophobicContact CG2-CB 3.89Å; I196-E375 HydrophobicContact CG2-CG 3.72Å |
| 197 | A | 98.3 | Very high | 96 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G193 V194 V195 Q200 A201 V312 V335 A340 F378 | G193-A197 WeakPolarHBondContact O-CB 3.45Å; G193-A197 PolarHBondContact O-N 2.95Å; V194-A197 WeakPolarHBondContact O-CB 3.48Å; V194-A197 PolarHBondContact O-N 2.83Å; V195-A197 VanDerWaalsContact C-N 3.27Å; V195-A197 PolarHBondContact O-N 3.33Å; A197-Q200 PolarHBondContact O-N 3.22Å; A197-A201 WeakPolarHBondContact O-CB 3.27Å; A197-A201 PolarHBondContact O-N 3.11Å; A197-V312 HydrophobicContact CB-CG1 4.26Å; A197-V335 HydrophobicContact CB-CG1 4.16Å; A197-A340 HydrophobicContact CB-CB 4.28Å; A197-F378 WeakPolarHBondContact O-CE2 3.35Å |
| 198 | I | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 172.9 | -75.1 | 167.4 | 0 | 0 | 0 | 110.9 | V194 V195 I196 Q200 A201 A202 I209 L226 L230 I288 V290 V312 | V194-I198 HydrophobicContact CG1-CD1 3.99Å; V194-I198 WeakPolarHBondContact O-CG1 3.16Å; V194-I198 PolarHBondContact O-N 3.08Å; V195-I198 WeakPolarHBondContact O-CB 3.27Å; V195-I198 PolarHBondContact O-N 2.9Å; V195-I198 VanDerWaalsContact O-N 3.11Å; I196-I198 VanDerWaalsContact C-N 3.35Å; I196-I198 PolarHBondContact O-N 3.43Å; I198-Q200 VanDerWaalsContact C-N 3.29Å; I198-Q200 PolarHBondContact O-N 2.73Å; I198-A201 PolarHBondContact O-N 3.03Å; I198-A202 VanDerWaalsContact O-CB 3.31Å; I198-A202 WeakPolarHBondContact O-CB 3.41Å; I198-A202 PolarHBondContact O-N 3.29Å; I198-I209 HydrophobicContact CG2-CD1 3.57Å; I198-L226 HydrophobicContact CD1-CD1 4.02Å; I198-L230 HydrophobicContact CD1-CD1 3.79Å; I198-L230 HydrophobicContact CD1-CD2 4.16Å; I198-L230 HydrophobicContact CG2-CD2 4.08Å; I198-I288 HydrophobicContact CD1-CG2 4.45Å; I198-I288 HydrophobicContact CG1-CG2 4.33Å; I198-I288 HydrophobicContact CG2-CD1 3.75Å; I198-V290 HydrophobicContact CD1-CG2 3.86Å; I198-V312 HydrophobicContact CG1-CB 3.98Å; I198-V312 HydrophobicContact CG1-CG1 4.11Å; I198-V312 HydrophobicContact CG1-CG2 3.58Å |
| 199 | E | 98.2 | Very high | 96.9 | Very high | 34 Ų | 34 | 37.6 Ų | 37.6 | 16% | 0.159 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.4 | -43.3 | 177.9 | -70.6 | 174.7 | 138.6 | 0 | 0 | 111.2 | V195 I196 K203 I209 R371 | V195-E199 HydrophobicContact CG1-CG 4.43Å; V195-E199 WeakPolarHBondContact O-CG 3.34Å; V195-E199 PolarHBondContact O-N 2.86Å; I196-E199 PolarHBondContact O-N 3.47Å; E199-K203 VanDerWaalsContact O-CG 3.25Å; E199-K203 WeakPolarHBondContact O-CG 3.5Å; E199-K203 PolarHBondContact O-N 3.05Å; E199-I209 HydrophobicContact CG-CG1 4.5Å; E199-R371 IonicContact OE1-NH2 3.76Å; E199-R371 IonicContact OE2-CZ 2.75Å; E199-R371 VanDerWaalsContact OE2-CZ 3.25Å; E199-R371 IonicContact OE2-NH1 3.37Å; E199-R371 PolarHBondContact OE2-NH1 3.29Å; E199-R371 IonicContact OE2-NH2 2.92Å; E199-R371 PolarHBondContact OE2-NH2 3.21Å |
| 200 | Q | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68 | -43.2 | 177.7 | -66.9 | -59.4 | -29.1 | 0 | 0 | 112.2 | I196 A197 I198 A202 K203 R204 E375 F378 | I196-Q200 WeakPolarHBondContact O-CG 3.48Å; I196-Q200 PolarHBondContact O-N 2.9Å; A197-Q200 PolarHBondContact O-N 3.22Å; I198-Q200 VanDerWaalsContact C-N 3.29Å; I198-Q200 PolarHBondContact O-N 2.73Å; Q200-A202 PolarHBondContact O-N 2.97Å; Q200-K203 PolarHBondContact O-N 3.19Å; Q200-R204 WeakPolarHBondContact O-CG 3.48Å; Q200-R204 PolarHBondContact O-N 2.95Å; Q200-E375 HydrophobicContact CG-CG 4.12Å; Q200-E375 VanDerWaalsContact NE2-CG 3.31Å; Q200-E375 PolarHBondContact NE2-OE1 3.39Å; Q200-E375 VanDerWaalsContact NE2-OE1 3.1Å; Q200-F378 HydrophobicContact CB-CB 4.28Å; Q200-F378 HydrophobicContact CB-CD1 3.51Å; Q200-F378 HydrophobicContact CB-CD2 3.77Å; Q200-F378 HydrophobicContact CB-CE1 3.7Å; Q200-F378 HydrophobicContact CB-CE2 3.93Å; Q200-F378 HydrophobicContact CB-CG 3.57Å; Q200-F378 HydrophobicContact CB-CZ 3.92Å; Q200-F378 HydrophobicContact CG-CB 4.36Å; Q200-F378 HydrophobicContact CG-CD1 4.3Å; Q200-F378 HydrophobicContact CG-CG 4.18Å |
| 201 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A197 I198 R204 R205 I310 L333 V335 F378 | A197-A201 WeakPolarHBondContact O-CB 3.27Å; A197-A201 PolarHBondContact O-N 3.11Å; I198-A201 PolarHBondContact O-N 3.03Å; A201-R204 PolarHBondContact O-N 2.9Å; A201-R205 PolarHBondContact O-N 3Å; A201-I310 HydrophobicContact CB-CD1 4.13Å; A201-I310 HydrophobicContact CB-CG2 3.77Å; A201-L333 HydrophobicContact CB-CD2 3.79Å; A201-V335 HydrophobicContact CB-CG2 3.86Å; A201-F378 HydrophobicContact CB-CE2 4.15Å; A201-F378 HydrophobicContact CB-CZ 3.96Å |
| 202 | A | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I198 Q200 R204 R205 N206 M207 I209 I310 | I198-A202 VanDerWaalsContact O-CB 3.31Å; I198-A202 WeakPolarHBondContact O-CB 3.41Å; I198-A202 PolarHBondContact O-N 3.29Å; Q200-A202 PolarHBondContact O-N 2.97Å; A202-R204 VanDerWaalsContact C-N 3.31Å; A202-R204 PolarHBondContact O-N 3.31Å; A202-R205 CarbonylContact O-C 3.42Å; A202-R205 WeakPolarHBondContact O-CA 3.47Å; A202-R205 PolarHBondContact O-N 3.29Å; A202-N206 PolarHBondContact O-N 3.32Å; A202-M207 HydrophobicContact CB-CB 4.17Å; A202-M207 PolarHBondContact O-N 2.78Å; A202-I209 HydrophobicContact CB-CD1 3.49Å; A202-I209 VanDerWaalsContact CB-CD1 3.49Å; A202-I209 HydrophobicContact CB-CG1 4.3Å; A202-I310 HydrophobicContact CB-CD1 4.4Å |
| 203 | K | 97.5 | Very high | 97.6 | Very high | 108 Ų | 108 | 47.6 Ų | 47.6 | 47% | 0.47 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.7 | -43.1 | 172.9 | -73.4 | 169.8 | -169.5 | 173.6 | 0 | 112.1 | E199 Q200 R205 N206 | E199-K203 VanDerWaalsContact O-CG 3.25Å; E199-K203 WeakPolarHBondContact O-CG 3.5Å; E199-K203 PolarHBondContact O-N 3.05Å; Q200-K203 PolarHBondContact O-N 3.19Å; K203-R205 PolarHBondContact O-N 3.42Å; K203-N206 PolarHBondContact O-N 2.81Å |
| 204 | R | 97 | Very high | 97.7 | Very high | 92 Ų | 92 | 47.6 Ų | 47.6 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.6 | -20.7 | 178 | -59.2 | -52.8 | 172.6 | -145.5 | -0.9 | 113.6 | Q200 A201 A202 L333 F378 D379 Y382 | Q200-R204 WeakPolarHBondContact O-CG 3.48Å; Q200-R204 PolarHBondContact O-N 2.95Å; A201-R204 PolarHBondContact O-N 2.9Å; A202-R204 VanDerWaalsContact C-N 3.31Å; A202-R204 PolarHBondContact O-N 3.31Å; R204-L333 HydrophobicContact CB-CD2 4.42Å; R204-F378 HydrophobicContact CG-CE1 4.09Å; R204-D379 IonicContact CZ-OD1 3.56Å; R204-D379 VanDerWaalsContact NH2-CG 3.33Å; R204-D379 IonicContact NH2-OD1 3.02Å; R204-D379 PolarHBondContact NH2-OD1 2.75Å; R204-D379 IonicContact NH2-OD2 2.73Å; R204-Y382 HydrophobicContact CB-CE1 4.27Å; R204-Y382 HydrophobicContact CB-CE2 3.95Å; R204-Y382 HydrophobicContact CG-CD1 4.09Å; R204-Y382 HydrophobicContact CG-CD2 4.13Å; R204-Y382 HydrophobicContact CG-CE1 3.84Å; R204-Y382 HydrophobicContact CG-CE2 3.88Å; R204-Y382 HydrophobicContact CG-CG 4.24Å |
| 205 | R | 96.2 | Very high | 97.8 | Very high | 103 Ų | 103 | 47.5 Ų | 47.5 | 39% | 0.389 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 6.3 | 174.3 | -65.1 | -58.4 | -169.7 | -175.3 | 2.1 | 113.8 | A201 A202 K203 M207 I310 G331 L333 | A201-R205 PolarHBondContact O-N 3Å; A202-R205 CarbonylContact O-C 3.42Å; A202-R205 WeakPolarHBondContact O-CA 3.47Å; A202-R205 PolarHBondContact O-N 3.29Å; K203-R205 PolarHBondContact O-N 3.42Å; R205-M207 HydrophobicContact CB-CB 4.38Å; R205-M207 PolarHBondContact O-N 2.93Å; R205-I310 HydrophobicContact CB-CD1 4.33Å; R205-I310 HydrophobicContact CG-CD1 4.04Å; R205-I310 HydrophobicContact CG-CG1 4.06Å; R205-G331 PolarHBondContact NH2-O 2.84Å; R205-L333 HydrophobicContact CG-CD2 4.24Å |
| 206 | N | 96.7 | Very high | 97.8 | Very high | 153 Ų | 153 | 47.4 Ų | 47.4 | 82% | 0.818 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 34.1 | -173.2 | -57.4 | -57.7 | 0 | 0 | 0 | 112.7 | A202 K203 | A202-N206 PolarHBondContact O-N 3.32Å; K203-N206 PolarHBondContact O-N 2.81Å |
| 207 | M | 97.5 | Very high | 97.7 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 18% | 0.177 | 23% | 0.232 | C | C | . | . | trans | -99.5 | 136.2 | -179.9 | 179 | -176.9 | -70.2 | 0 | 0 | 109.7 | A202 R205 A212 D287 I288 S309 I310 | A202-M207 HydrophobicContact CB-CB 4.17Å; A202-M207 PolarHBondContact O-N 2.78Å; R205-M207 HydrophobicContact CB-CB 4.38Å; R205-M207 PolarHBondContact O-N 2.93Å; M207-A212 HydrophobicContact SD-CB 4.37Å; M207-D287 HydrophobicContact CE-CB 3.73Å; M207-D287 HydrophobicContact SD-CB 3.89Å; M207-I288 HydrophobicContact SD-CD1 4.15Å; M207-I288 HydrophobicContact SD-CG1 4.07Å; M207-S309 VanDerWaalsContact CE-OG 3.27Å; M207-S309 WeakPolarHBondContact CE-OG 3.35Å; M207-I310 HydrophobicContact CE-CD1 4.49Å; M207-I310 HydrophobicContact SD-CD1 4.15Å | ||
| 208 | Q | 96.9 | Very high | 97.5 | Very high | 152 Ų | 152 | 47.5 Ų | 47.5 | 71% | 0.71 | 23% | 0.234 | S | C | * | . | trans | -85.3 | 140.8 | 168.2 | -62.1 | -59.2 | -44.2 | 0 | 0 | 109.2 | ||||
| 209 | I | 97.2 | Very high | 97.2 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 11% | 0.108 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -72.1 | -38.5 | 175.1 | -62.5 | -58 | 0 | 0 | 0 | 110.5 | I198 E199 A202 G211 A212 L230 L233 A235 I288 | I198-I209 HydrophobicContact CG2-CD1 3.57Å; E199-I209 HydrophobicContact CG-CG1 4.5Å; A202-I209 HydrophobicContact CB-CD1 3.49Å; A202-I209 VanDerWaalsContact CB-CD1 3.49Å; A202-I209 HydrophobicContact CB-CG1 4.3Å; I209-G211 PolarHBondContact O-N 3Å; I209-A212 WeakPolarHBondContact O-CB 3.39Å; I209-A212 PolarHBondContact O-N 2.62Å; I209-L230 HydrophobicContact CG2-CD2 4.43Å; I209-L233 HydrophobicContact CG2-CB 3.99Å; I209-A235 HydrophobicContact CG2-CB 3.92Å; I209-A235 WeakPolarHBondContact O-CA 3.23Å; I209-A235 WeakPolarHBondContact O-CB 3.2Å; I209-I288 HydrophobicContact CD1-CD1 4.07Å |
| 210 | E | 97.5 | Very high | 96.7 | Very high | 157 Ų | 157 | 47.2 Ų | 47.2 | 73% | 0.734 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 120.5 | 174.7 | -170.9 | 179 | 179 | 0 | 0 | 110 | A212 | E210-A212 VanDerWaalsContact C-N 3.3Å; E210-A212 PolarHBondContact O-N 2.78Å |
| 211 | G | 97 | Very high | 95.9 | Very high | 52 Ų | 52 | 51.5 Ų | 51.5 | 54% | 0.536 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -8.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | I209 G234 | I209-G211 PolarHBondContact O-N 3Å; G211-G234 PolarHBondContact N-O 3.16Å |
| 212 | A | 98 | Very high | 95.2 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | trans | -64.3 | 136 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M207 I209 E210 K236 D287 | M207-A212 HydrophobicContact SD-CB 4.37Å; I209-A212 WeakPolarHBondContact O-CB 3.39Å; I209-A212 PolarHBondContact O-N 2.62Å; E210-A212 VanDerWaalsContact C-N 3.3Å; E210-A212 PolarHBondContact O-N 2.78Å; A212-K236 PolarHBondContact O-N 3.2Å; A212-D287 HydrophobicContact CB-CB 4.35Å | ||
| 213 | K | 98.5 | Very high | 94.9 | Very high | 64 Ų | 64 | 53 Ų | 53 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 121 | 175.4 | -64.1 | -177.8 | -169.9 | 175.2 | 0 | 110 | K236 V238 D285 C286 D287 I288 | K213-K236 CarbonylContact C-O 3.57Å; K213-K236 WeakPolarHBondContact CA-O 3.28Å; K213-V238 HydrophobicContact CB-CG1 4.12Å; K213-V238 HydrophobicContact CB-CG2 4.1Å; K213-V238 HydrophobicContact CD-CG1 4.42Å; K213-V238 HydrophobicContact CG-CG1 4.04Å; K213-D285 IonicContact NZ-OD2 2.76Å; K213-D285 PolarHBondContact NZ-OD2 2.9Å; K213-C286 HydrophobicContact CB-CB 4.2Å; K213-D287 PolarHBondContact N-OD2 2.67Å; K213-D287 PolarHBondContact O-N 3.21Å; K213-I288 PolarHBondContact O-N 2.86Å; K213-I288 VanDerWaalsContact O-N 3.16Å |
| 214 | V | 98.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.4 | -179.4 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | I216 L230 A235 K236 I237 V238 I288 V290 | V214-I216 HydrophobicContact CG1-CD1 4.35Å; V214-I216 HydrophobicContact CG1-CG1 3.9Å; V214-L230 HydrophobicContact CG1-CD1 3.89Å; V214-L230 HydrophobicContact CG2-CD1 4.45Å; V214-A235 HydrophobicContact CG2-CB 3.89Å; V214-K236 PolarHBondContact N-O 3.02Å; V214-I237 HydrophobicContact CB-CD1 3.81Å; V214-I237 HydrophobicContact CG1-CD1 4.25Å; V214-I237 HydrophobicContact CG2-CD1 4.3Å; V214-I237 CarbonylContact O-C 3.57Å; V214-I237 WeakPolarHBondContact O-CA 3.37Å; V214-V238 PolarHBondContact O-N 2.91Å; V214-I288 WeakPolarHBondContact CA-O 3.44Å; V214-I288 HydrophobicContact CG1-CB 4.41Å; V214-I288 HydrophobicContact CG2-CB 4.27Å; V214-I288 HydrophobicContact CG2-CD1 4.47Å; V214-V290 HydrophobicContact CG1-CG2 4.38Å |
| 215 | V | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.7 | 170.2 | 170.6 | 0 | 0 | 0 | 0 | 109.3 | V238 G239 L281 L284 C286 I288 L289 V290 | V215-V238 HydrophobicContact CG2-CG2 3.73Å; V215-G239 WeakPolarHBondContact CA-O 3.34Å; V215-L281 HydrophobicContact CG1-CD1 3.87Å; V215-L281 HydrophobicContact CG1-CD2 3.89Å; V215-L281 HydrophobicContact CG1-CG 3.56Å; V215-L284 HydrophobicContact CG2-CB 4.13Å; V215-L284 HydrophobicContact CG2-CD1 4.05Å; V215-C286 HydrophobicContact CB-CB 4.33Å; V215-C286 HydrophobicContact CG2-CB 3.62Å; V215-I288 PolarHBondContact N-O 3.02Å; V215-L289 HydrophobicContact CB-CD1 4.01Å; V215-L289 HydrophobicContact CG1-CD1 3.67Å; V215-V290 PolarHBondContact O-N 2.93Å |
| 216 | I | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 113.7 | -178.2 | -56.4 | 172 | 0 | 0 | 0 | 109.3 | V214 L226 A227 L230 I237 G239 I240 S241 V290 A292 | V214-I216 HydrophobicContact CG1-CD1 4.35Å; V214-I216 HydrophobicContact CG1-CG1 3.9Å; I216-L226 HydrophobicContact CD1-CD2 4.14Å; I216-L226 HydrophobicContact CD1-CG 4.06Å; I216-L226 HydrophobicContact CG1-CD2 4.34Å; I216-L226 HydrophobicContact CG2-CD2 4.18Å; I216-A227 HydrophobicContact CD1-CB 3.67Å; I216-L230 HydrophobicContact CD1-CD1 4.37Å; I216-I237 HydrophobicContact CD1-CD1 4.28Å; I216-I237 HydrophobicContact CD1-CG2 4.36Å; I216-G239 PolarHBondContact N-O 3.1Å; I216-I240 CarbonylContact O-C 3.52Å; I216-I240 VanDerWaalsContact O-CA 3.23Å; I216-I240 WeakPolarHBondContact O-CA 3.3Å; I216-S241 PolarHBondContact O-N 2.99Å; I216-V290 WeakPolarHBondContact CA-O 3.14Å; I216-V290 HydrophobicContact CG1-CB 4.31Å; I216-A292 HydrophobicContact CG2-CB 4.39Å |
| 217 | Q | 97 | Very high | 94.5 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 122.4 | 171.9 | -176.7 | -138.2 | 22.3 | 0 | 0 | 109.7 | S241 L281 F282 V290 A292 A293 | Q217-S241 WeakPolarHBondContact CA-OG 3.23Å; Q217-S241 WeakPolarHBondContact CG-OG 2.93Å; Q217-L281 HydrophobicContact CB-CD2 4Å; Q217-L281 HydrophobicContact CG-CD2 4.39Å; Q217-F282 HydrophobicContact CB-CE2 4.34Å; Q217-F282 HydrophobicContact CB-CZ 3.91Å; Q217-F282 HydrophobicContact CG-CE2 3.95Å; Q217-F282 HydrophobicContact CG-CZ 3.84Å; Q217-V290 PolarHBondContact N-O 3.34Å; Q217-A292 CarbonylContact O-C 3.52Å; Q217-A292 VanDerWaalsContact O-C 3.25Å; Q217-A292 WeakPolarHBondContact O-CA 3.4Å; Q217-A292 WeakPolarHBondContact O-CB 3.42Å; Q217-A292 PolarHBondContact O-N 3.15Å; Q217-A293 HydrophobicContact CG-CB 4.18Å; Q217-A293 PolarHBondContact O-N 3.16Å |
| 218 | G | 93.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | trans | 92.5 | 122.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G223 S241 | G218-G223 WeakPolarHBondContact O-CA 3.42Å; G218-S241 CarbonylContact C-O 3.57Å; G218-S241 WeakPolarHBondContact CA-O 3.37Å; G218-S241 PolarHBondContact N-O 2.83Å; G218-S241 VanDerWaalsContact N-O 3.07Å; G218-S241 PolarHBondContact N-OG 3.46Å; G218-S241 VanDerWaalsContact N-OG 3.11Å | ||
| 219 | F | 93.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | trans | -115.6 | 22.8 | -178.7 | -152.4 | -114.7 | 0 | 0 | 0 | 113.3 | A227 I240 S241 L258 L259 R262 G266 V268 | F219-A227 HydrophobicContact CD2-CB 4.49Å; F219-A227 HydrophobicContact CE2-CB 3.7Å; F219-I240 HydrophobicContact CB-CD1 4.31Å; F219-I240 HydrophobicContact CD1-CD1 4.01Å; F219-I240 HydrophobicContact CD2-CB 4.11Å; F219-I240 HydrophobicContact CD2-CD1 3.63Å; F219-I240 HydrophobicContact CD2-CG1 4.49Å; F219-I240 HydrophobicContact CD2-CG2 4.05Å; F219-I240 HydrophobicContact CE1-CD1 4.17Å; F219-I240 HydrophobicContact CE2-CD1 3.8Å; F219-I240 HydrophobicContact CE2-CG2 4.1Å; F219-I240 HydrophobicContact CG-CD1 3.74Å; F219-I240 HydrophobicContact CZ-CD1 4.08Å; F219-S241 WeakPolarHBondContact CB-O 3.09Å; F219-S241 PolarHBondContact N-O 3.21Å; F219-L258 HydrophobicContact CE1-CB 4.08Å; F219-L258 HydrophobicContact CZ-CB 4.08Å; F219-L259 HydrophobicContact CE1-CD2 4.16Å; F219-L259 HydrophobicContact CZ-CD2 3.92Å; F219-L259 HydrophobicContact CZ-CG 4.18Å; F219-R262 HydrophobicContact CD1-CB 4.46Å; F219-G266 WeakPolarHBondContact O-CA 3.38Å; F219-V268 HydrophobicContact CD1-CG1 4.01Å; F219-V268 HydrophobicContact CE1-CG1 4.42Å | ||
| 220 | G | 86.4 | Confident | 94.5 | Very high | 27 Ų | 27 | 29 Ų | 29 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -66.6 | -167.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A222 G223 S224 | G220-A222 PolarHBondContact O-N 2.94Å; G220-G223 PolarHBondContact O-N 3.27Å; G220-S224 VanDerWaalsContact O-CB 3.27Å; G220-S224 WeakPolarHBondContact O-CB 3.48Å; G220-S224 PolarHBondContact O-N 2.9Å; G220-S224 PolarHBondContact O-OG 3.25Å; G220-S224 VanDerWaalsContact O-OG 3.05Å |
| 221 | N | 81.2 | Confident | 94.5 | Very high | 98 Ų | 98 | 25.8 Ų | 25.8 | 52% | 0.524 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -52 | -47.5 | -173.2 | -168.1 | 39.8 | 0 | 0 | 0 | 114 | S224 F225 | N221-S224 PolarHBondContact O-OG 2.76Å; N221-S224 VanDerWaalsContact O-OG 3.09Å; N221-F225 WeakPolarHBondContact O-CD2 3.5Å; N221-F225 PolarHBondContact O-N 3.19Å; N221-F225 WeakPolarHBondContact OD1-CD2 3.35Å; N221-F225 WeakPolarHBondContact OD1-CE2 3.48Å |
| 222 | A | 84.9 | Confident | 94.5 | Very high | 33 Ų | 33 | 27.8 Ų | 27.8 | 27% | 0.273 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -68.3 | -52.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G220 S224 F225 L226 | G220-A222 PolarHBondContact O-N 2.94Å; A222-S224 PolarHBondContact O-N 2.77Å; A222-F225 PolarHBondContact O-N 3.02Å; A222-L226 VanDerWaalsContact O-CB 3.27Å; A222-L226 WeakPolarHBondContact O-CB 3.47Å; A222-L226 PolarHBondContact O-N 2.88Å |
| 223 | G | 91.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.9 | -34.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G218 G220 L226 A227 | G218-G223 WeakPolarHBondContact O-CA 3.42Å; G220-G223 PolarHBondContact O-N 3.27Å; G223-L226 PolarHBondContact O-N 3.37Å; G223-A227 WeakPolarHBondContact O-CB 3.46Å; G223-A227 PolarHBondContact O-N 2.83Å |
| 224 | S | 93.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -45.3 | 178 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | G220 N221 A222 L226 A227 K228 R262 | G220-S224 VanDerWaalsContact O-CB 3.27Å; G220-S224 WeakPolarHBondContact O-CB 3.48Å; G220-S224 PolarHBondContact O-N 2.9Å; G220-S224 PolarHBondContact O-OG 3.25Å; G220-S224 VanDerWaalsContact O-OG 3.05Å; N221-S224 PolarHBondContact O-OG 2.76Å; N221-S224 VanDerWaalsContact O-OG 3.09Å; A222-S224 PolarHBondContact O-N 2.77Å; S224-L226 VanDerWaalsContact C-N 3.3Å; S224-A227 PolarHBondContact O-N 2.87Å; S224-K228 PolarHBondContact O-N 2.85Å; S224-R262 VanDerWaalsContact OG-CZ 3.28Å; S224-R262 PolarHBondContact OG-NH1 3.16Å; S224-R262 PolarHBondContact OG-NH2 3.37Å |
| 225 | F | 93.7 | Very high | 94.3 | Very high | 67 Ų | 67 | 29.9 Ų | 29.9 | 29% | 0.294 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.4 | -36.7 | 177.2 | -81.6 | -58.8 | 0 | 0 | 0 | 110.4 | R188 A191 N221 A222 K228 F229 | R188-F225 HydrophobicContact CB-CD1 4.48Å; R188-F225 HydrophobicContact CB-CG 4.36Å; A191-F225 HydrophobicContact CB-CB 3.55Å; N221-F225 WeakPolarHBondContact O-CD2 3.5Å; N221-F225 PolarHBondContact O-N 3.19Å; N221-F225 WeakPolarHBondContact OD1-CD2 3.35Å; N221-F225 WeakPolarHBondContact OD1-CE2 3.48Å; A222-F225 PolarHBondContact O-N 3.02Å; F225-K228 PolarHBondContact O-N 2.7Å; F225-F229 HydrophobicContact CB-CE2 4.18Å; F225-F229 WeakPolarHBondContact O-CD2 3.35Å; F225-F229 WeakPolarHBondContact O-CG 3.31Å; F225-F229 PolarHBondContact O-N 2.83Å |
| 226 | L | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -49.9 | 173.3 | 174.3 | 65.6 | 0 | 0 | 0 | 111.4 | A191 V194 V195 I198 I216 A222 G223 S224 K228 F229 L230 V290 | A191-L226 HydrophobicContact CB-CB 4.3Å; V194-L226 HydrophobicContact CB-CD1 4.07Å; V194-L226 HydrophobicContact CG1-CD1 3.68Å; V194-L226 HydrophobicContact CG1-CD2 3.87Å; V194-L226 HydrophobicContact CG1-CG 4.41Å; V195-L226 HydrophobicContact CG2-CD1 3.6Å; I198-L226 HydrophobicContact CD1-CD1 4.02Å; I216-L226 HydrophobicContact CD1-CD2 4.14Å; I216-L226 HydrophobicContact CD1-CG 4.06Å; I216-L226 HydrophobicContact CG1-CD2 4.34Å; I216-L226 HydrophobicContact CG2-CD2 4.18Å; A222-L226 VanDerWaalsContact O-CB 3.27Å; A222-L226 WeakPolarHBondContact O-CB 3.47Å; A222-L226 PolarHBondContact O-N 2.88Å; G223-L226 PolarHBondContact O-N 3.37Å; S224-L226 VanDerWaalsContact C-N 3.3Å; L226-K228 VanDerWaalsContact C-N 3.27Å; L226-K228 PolarHBondContact O-N 3.22Å; L226-F229 PolarHBondContact O-N 3.4Å; L226-L230 HydrophobicContact CD1-CD1 3.72Å; L226-L230 HydrophobicContact CD1-CG 4.03Å; L226-L230 HydrophobicContact CG-CD1 3.96Å; L226-L230 WeakPolarHBondContact O-CB 3.38Å; L226-L230 WeakPolarHBondContact O-CG 3.42Å; L226-L230 PolarHBondContact O-N 3.34Å; L226-V290 HydrophobicContact CD2-CB 3.99Å; L226-V290 HydrophobicContact CD2-CG1 3.29Å; L226-V290 HydrophobicContact CD2-CG2 4.19Å |
| 227 | A | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.9 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | I216 F219 G223 S224 Y231 I255 | I216-A227 HydrophobicContact CD1-CB 3.67Å; F219-A227 HydrophobicContact CD2-CB 4.49Å; F219-A227 HydrophobicContact CE2-CB 3.7Å; G223-A227 WeakPolarHBondContact O-CB 3.46Å; G223-A227 PolarHBondContact O-N 2.83Å; S224-A227 PolarHBondContact O-N 2.87Å; A227-Y231 WeakPolarHBondContact O-CB 3.42Å; A227-Y231 PolarHBondContact O-N 2.94Å; A227-I255 HydrophobicContact CB-CD1 4.28Å; A227-I255 HydrophobicContact CB-CG2 4.05Å |
| 228 | K | 96.7 | Very high | 94.4 | Very high | 50 Ų | 50 | 33 Ų | 33 | 22% | 0.217 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -52 | 176.6 | -176.2 | 48.1 | -179.5 | 164.7 | 0 | 112.3 | S224 F225 L226 L230 Y231 D232 D256 L259 | S224-K228 PolarHBondContact O-N 2.85Å; F225-K228 PolarHBondContact O-N 2.7Å; L226-K228 VanDerWaalsContact C-N 3.27Å; L226-K228 PolarHBondContact O-N 3.22Å; K228-L230 PolarHBondContact O-N 2.93Å; K228-Y231 PolarHBondContact O-N 3.28Å; K228-D232 VanDerWaalsContact CE-OD1 3.26Å; K228-D232 WeakPolarHBondContact CE-OD1 3.22Å; K228-D232 WeakPolarHBondContact CE-OD2 3.18Å; K228-D232 IonicContact NZ-OD1 2.73Å; K228-D232 PolarHBondContact NZ-OD1 3.31Å; K228-D232 IonicContact NZ-OD2 3.67Å; K228-D232 PolarHBondContact NZ-OD2 3.1Å; K228-D232 WeakPolarHBondContact O-CB 3.45Å; K228-D232 VanDerWaalsContact O-CG 3.23Å; K228-D232 PolarHBondContact O-N 3.44Å; K228-D256 WeakPolarHBondContact CE-OD1 3.45Å; K228-D256 IonicContact NZ-OD1 2.83Å; K228-D256 PolarHBondContact NZ-OD1 3.12Å; K228-D256 IonicContact NZ-OD2 3.25Å; K228-L259 HydrophobicContact CB-CD1 3.84Å; K228-L259 HydrophobicContact CD-CD1 3.95Å; K228-L259 HydrophobicContact CG-CD1 4.08Å |
| 229 | F | 96.7 | Very high | 94.6 | Very high | 43 Ų | 43 | 32.7 Ų | 32.7 | 19% | 0.189 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | -178.8 | -70.4 | -48.3 | 0 | 0 | 0 | 112.9 | R188 A191 L192 V195 F225 L226 D232 L233 | R188-F229 HydrophobicContact CB-CE2 4.06Å; R188-F229 HydrophobicContact CB-CZ 3.92Å; R188-F229 HydrophobicContact CG-CE2 4.49Å; R188-F229 HydrophobicContact CG-CZ 4Å; A191-F229 HydrophobicContact CB-CD2 4.19Å; A191-F229 HydrophobicContact CB-CE2 4.05Å; L192-F229 HydrophobicContact CB-CE2 4.18Å; V195-F229 HydrophobicContact CG2-CB 3.55Å; V195-F229 HydrophobicContact CG2-CD2 4.03Å; V195-F229 HydrophobicContact CG2-CG 4.18Å; F225-F229 HydrophobicContact CB-CE2 4.18Å; F225-F229 WeakPolarHBondContact O-CD2 3.35Å; F225-F229 WeakPolarHBondContact O-CG 3.31Å; F225-F229 PolarHBondContact O-N 2.83Å; L226-F229 PolarHBondContact O-N 3.4Å; F229-D232 PolarHBondContact O-N 3.2Å; F229-L233 VanDerWaalsContact O-CG 3.3Å; F229-L233 WeakPolarHBondContact O-CG 3.4Å; F229-L233 PolarHBondContact O-N 2.77Å |
| 230 | L | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69 | -40 | 178.3 | -70.6 | 176.2 | 0 | 0 | 0 | 111.7 | V195 I198 I209 V214 I216 L226 K228 D232 L233 G234 A235 I237 | V195-L230 HydrophobicContact CG1-CD2 4.46Å; V195-L230 HydrophobicContact CG2-CD2 4.41Å; V195-L230 HydrophobicContact CG2-CG 4.4Å; I198-L230 HydrophobicContact CD1-CD1 3.79Å; I198-L230 HydrophobicContact CD1-CD2 4.16Å; I198-L230 HydrophobicContact CG2-CD2 4.08Å; I209-L230 HydrophobicContact CG2-CD2 4.43Å; V214-L230 HydrophobicContact CG1-CD1 3.89Å; V214-L230 HydrophobicContact CG2-CD1 4.45Å; I216-L230 HydrophobicContact CD1-CD1 4.37Å; L226-L230 HydrophobicContact CD1-CD1 3.72Å; L226-L230 HydrophobicContact CD1-CG 4.03Å; L226-L230 HydrophobicContact CG-CD1 3.96Å; L226-L230 WeakPolarHBondContact O-CB 3.38Å; L226-L230 WeakPolarHBondContact O-CG 3.42Å; L226-L230 PolarHBondContact O-N 3.34Å; K228-L230 PolarHBondContact O-N 2.93Å; L230-D232 VanDerWaalsContact C-N 3.35Å; L230-L233 CarbonylContact O-C 3.1Å; L230-L233 PolarHBondContact O-N 2.89Å; L230-G234 PolarHBondContact O-N 3.48Å; L230-A235 HydrophobicContact CB-CB 4.16Å; L230-A235 VanDerWaalsContact O-CB 3.32Å; L230-A235 WeakPolarHBondContact O-CB 3.41Å; L230-A235 PolarHBondContact O-N 2.98Å; L230-I237 HydrophobicContact CB-CD1 3.83Å; L230-I237 HydrophobicContact CD1-CD1 4.49Å |
| 231 | Y | 97.4 | Very high | 95.3 | Very high | 88 Ų | 88 | 31.4 Ų | 31.4 | 35% | 0.345 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 172.7 | 178.1 | -100.3 | 0 | 0 | 0 | 111.6 | A227 K228 L233 G234 I255 | A227-Y231 WeakPolarHBondContact O-CB 3.42Å; A227-Y231 PolarHBondContact O-N 2.94Å; K228-Y231 PolarHBondContact O-N 3.28Å; Y231-L233 PolarHBondContact O-N 2.97Å; Y231-G234 WeakPolarHBondContact O-CA 3.43Å; Y231-G234 PolarHBondContact O-N 3.44Å; Y231-I255 HydrophobicContact CD1-CB 4.35Å; Y231-I255 HydrophobicContact CD2-CB 4.15Å; Y231-I255 HydrophobicContact CD2-CG1 3.94Å; Y231-I255 HydrophobicContact CG-CB 3.96Å; Y231-I255 HydrophobicContact CG-CG1 4.06Å |
| 232 | D | 96.7 | Very high | 95.8 | Very high | 94 Ų | 94 | 27.3 Ų | 27.3 | 50% | 0.503 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.2 | -25.7 | 176.9 | -68.2 | -17.6 | 0 | 0 | 0 | 113.1 | K228 F229 L230 | K228-D232 VanDerWaalsContact CE-OD1 3.26Å; K228-D232 WeakPolarHBondContact CE-OD1 3.22Å; K228-D232 WeakPolarHBondContact CE-OD2 3.18Å; K228-D232 IonicContact NZ-OD1 2.73Å; K228-D232 PolarHBondContact NZ-OD1 3.31Å; K228-D232 IonicContact NZ-OD2 3.67Å; K228-D232 PolarHBondContact NZ-OD2 3.1Å; K228-D232 WeakPolarHBondContact O-CB 3.45Å; K228-D232 VanDerWaalsContact O-CG 3.23Å; K228-D232 PolarHBondContact O-N 3.44Å; F229-D232 PolarHBondContact O-N 3.2Å; L230-D232 VanDerWaalsContact C-N 3.35Å |
| 233 | L | 96.5 | Very high | 95.9 | Very high | 74 Ų | 74 | 29.9 Ų | 29.9 | 39% | 0.387 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 0.9 | 171.2 | -69.9 | 172.1 | 0 | 0 | 0 | 113.2 | V195 I209 F229 L230 Y231 | V195-L233 HydrophobicContact CG1-CD1 3.68Å; I209-L233 HydrophobicContact CG2-CB 3.99Å; F229-L233 VanDerWaalsContact O-CG 3.3Å; F229-L233 WeakPolarHBondContact O-CG 3.4Å; F229-L233 PolarHBondContact O-N 2.77Å; L230-L233 CarbonylContact O-C 3.1Å; L230-L233 PolarHBondContact O-N 2.89Å; Y231-L233 PolarHBondContact O-N 2.97Å |
| 234 | G | 97.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 38 Ų | 38 | 37% | 0.371 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 10.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G211 L230 Y231 | G211-G234 PolarHBondContact N-O 3.16Å; L230-G234 PolarHBondContact O-N 3.48Å; Y231-G234 WeakPolarHBondContact O-CA 3.43Å; Y231-G234 PolarHBondContact O-N 3.44Å |
| 235 | A | 98.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | trans | -71.1 | 149.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I209 V214 L230 I237 | I209-A235 HydrophobicContact CG2-CB 3.92Å; I209-A235 WeakPolarHBondContact O-CA 3.23Å; I209-A235 WeakPolarHBondContact O-CB 3.2Å; V214-A235 HydrophobicContact CG2-CB 3.89Å; L230-A235 HydrophobicContact CB-CB 4.16Å; L230-A235 VanDerWaalsContact O-CB 3.32Å; L230-A235 WeakPolarHBondContact O-CB 3.41Å; L230-A235 PolarHBondContact O-N 2.98Å; A235-I237 PolarHBondContact O-N 3.08Å | ||
| 236 | K | 98.2 | Very high | 95.9 | Very high | 66 Ų | 66 | 35 Ų | 35 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 98.3 | -179.6 | -167.9 | -178.4 | -165.6 | 179.9 | 0 | 109.5 | A212 K213 V214 V238 P250 N251 | A212-K236 PolarHBondContact O-N 3.2Å; K213-K236 CarbonylContact C-O 3.57Å; K213-K236 WeakPolarHBondContact CA-O 3.28Å; V214-K236 PolarHBondContact N-O 3.02Å; K236-V238 HydrophobicContact CD-CG1 4.04Å; K236-V238 HydrophobicContact CG-CG1 3.88Å; K236-V238 PolarHBondContact O-N 3.4Å; K236-P250 WeakPolarHBondContact CE-O 3.19Å; K236-P250 PolarHBondContact NZ-O 2.95Å; K236-N251 WeakPolarHBondContact CE-O 3.41Å; K236-N251 VanDerWaalsContact NZ-CA 3.35Å |
| 237 | I | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 100.6 | 176.6 | -46.8 | -51.8 | 0 | 0 | 0 | 108.4 | V214 I216 L230 A235 I240 G252 L253 I255 | V214-I237 HydrophobicContact CB-CD1 3.81Å; V214-I237 HydrophobicContact CG1-CD1 4.25Å; V214-I237 HydrophobicContact CG2-CD1 4.3Å; V214-I237 CarbonylContact O-C 3.57Å; V214-I237 WeakPolarHBondContact O-CA 3.37Å; I216-I237 HydrophobicContact CD1-CD1 4.28Å; I216-I237 HydrophobicContact CD1-CG2 4.36Å; L230-I237 HydrophobicContact CB-CD1 3.83Å; L230-I237 HydrophobicContact CD1-CD1 4.49Å; A235-I237 PolarHBondContact O-N 3.08Å; I237-I240 HydrophobicContact CG2-CG2 3.7Å; I237-G252 CarbonylContact O-C 3.44Å; I237-G252 WeakPolarHBondContact O-CA 3.06Å; I237-L253 WeakPolarHBondContact O-CB 3.48Å; I237-L253 PolarHBondContact O-N 3.1Å; I237-I255 HydrophobicContact CB-CD1 3.77Å; I237-I255 HydrophobicContact CB-CG1 4Å; I237-I255 HydrophobicContact CG1-CD1 3.97Å; I237-I255 HydrophobicContact CG1-CG1 3.75Å; I237-I255 HydrophobicContact CG2-CD1 3.84Å |
| 238 | V | 98.2 | Very high | 96 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -17.6 | -175.4 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | K213 V214 V215 K236 H248 D249 C286 | K213-V238 HydrophobicContact CB-CG1 4.12Å; K213-V238 HydrophobicContact CB-CG2 4.1Å; K213-V238 HydrophobicContact CD-CG1 4.42Å; K213-V238 HydrophobicContact CG-CG1 4.04Å; V214-V238 PolarHBondContact O-N 2.91Å; V215-V238 HydrophobicContact CG2-CG2 3.73Å; K236-V238 HydrophobicContact CD-CG1 4.04Å; K236-V238 HydrophobicContact CG-CG1 3.88Å; K236-V238 PolarHBondContact O-N 3.4Å; V238-H248 CarbonylContact O-C 3.5Å; V238-H248 VanDerWaalsContact O-CA 3.28Å; V238-H248 WeakPolarHBondContact O-CA 3.24Å; V238-H248 PolarHBondContact O-CD2 3.25Å; V238-D249 VanDerWaalsContact CA-O 3.32Å; V238-D249 WeakPolarHBondContact CA-O 3.41Å; V238-D249 WeakPolarHBondContact CB-O 3.25Å; V238-D249 PolarHBondContact O-N 3.15Å; V238-C286 HydrophobicContact CG2-CB 4.36Å |
| 239 | G | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 138.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V215 I216 L247 | V215-G239 WeakPolarHBondContact CA-O 3.34Å; I216-G239 PolarHBondContact N-O 3.1Å; G239-L247 WeakPolarHBondContact CA-O 3.34Å |
| 240 | I | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 159.4 | 169.2 | 67.1 | 161.4 | 0 | 0 | 0 | 110.4 | I216 F219 I237 A246 L247 L253 L258 V268 | I216-I240 CarbonylContact O-C 3.52Å; I216-I240 VanDerWaalsContact O-CA 3.23Å; I216-I240 WeakPolarHBondContact O-CA 3.3Å; F219-I240 HydrophobicContact CB-CD1 4.31Å; F219-I240 HydrophobicContact CD1-CD1 4.01Å; F219-I240 HydrophobicContact CD2-CB 4.11Å; F219-I240 HydrophobicContact CD2-CD1 3.63Å; F219-I240 HydrophobicContact CD2-CG1 4.49Å; F219-I240 HydrophobicContact CD2-CG2 4.05Å; F219-I240 HydrophobicContact CE1-CD1 4.17Å; F219-I240 HydrophobicContact CE2-CD1 3.8Å; F219-I240 HydrophobicContact CE2-CG2 4.1Å; F219-I240 HydrophobicContact CG-CD1 3.74Å; F219-I240 HydrophobicContact CZ-CD1 4.08Å; I237-I240 HydrophobicContact CG2-CG2 3.7Å; I240-A246 CarbonylContact O-C 3.52Å; I240-A246 WeakPolarHBondContact O-CA 3.36Å; I240-A246 WeakPolarHBondContact O-CB 3.39Å; I240-L247 HydrophobicContact CD1-CD1 4.35Å; I240-L247 HydrophobicContact CG1-CB 4.14Å; I240-L247 HydrophobicContact CG1-CD1 4.41Å; I240-L247 PolarHBondContact N-O 3.32Å; I240-L247 PolarHBondContact O-N 3.36Å; I240-L253 HydrophobicContact CB-CD1 4.35Å; I240-L253 HydrophobicContact CG1-CD1 3.91Å; I240-L253 HydrophobicContact CG2-CD1 4.04Å; I240-L258 HydrophobicContact CD1-CD1 3.76Å; I240-L258 HydrophobicContact CG1-CD1 4.46Å; I240-V268 HydrophobicContact CD1-CG1 3.75Å |
| 241 | S | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 163.5 | 170.2 | 74.6 | 0 | 0 | 0 | 0 | 114.9 | I216 Q217 G218 F219 G245 N278 | I216-S241 PolarHBondContact O-N 2.99Å; Q217-S241 WeakPolarHBondContact CA-OG 3.23Å; Q217-S241 WeakPolarHBondContact CG-OG 2.93Å; G218-S241 CarbonylContact C-O 3.57Å; G218-S241 WeakPolarHBondContact CA-O 3.37Å; G218-S241 PolarHBondContact N-O 2.83Å; G218-S241 VanDerWaalsContact N-O 3.07Å; G218-S241 PolarHBondContact N-OG 3.46Å; G218-S241 VanDerWaalsContact N-OG 3.11Å; F219-S241 WeakPolarHBondContact CB-O 3.09Å; F219-S241 PolarHBondContact N-O 3.21Å; S241-G245 WeakPolarHBondContact CA-O 3.19Å; S241-G245 WeakPolarHBondContact CB-O 3.44Å; S241-N278 WeakPolarHBondContact CB-OD1 3.48Å; S241-N278 PolarHBondContact OG-OD1 2.85Å |
| 242 | D | 92.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | trans | -134.6 | -162.9 | 168.5 | 63.5 | 33.6 | 0 | 0 | 0 | 110.1 | Y244 G245 T267 V268 T269 N278 | D242-Y244 PolarHBondContact O-N 3.38Å; D242-Y244 PolarHBondContact OD1-N 3.14Å; D242-G245 PolarHBondContact N-O 3.1Å; D242-G245 PolarHBondContact OD1-N 2.92Å; D242-T267 WeakPolarHBondContact OD2-CA 3.3Å; D242-T267 WeakPolarHBondContact OD2-CG2 3.33Å; D242-V268 PolarHBondContact OD2-N 3.43Å; D242-T269 VanDerWaalsContact CG-CG2 3.42Å; D242-T269 WeakPolarHBondContact OD1-CG2 3.43Å; D242-T269 PolarHBondContact OD1-OG1 3.49Å; D242-T269 WeakPolarHBondContact OD2-CB 3.19Å; D242-T269 WeakPolarHBondContact OD2-CG2 3.1Å; D242-T269 PolarHBondContact OD2-N 3.09Å; D242-T269 PolarHBondContact OD2-OG1 3.09Å; D242-N278 PolarHBondContact O-ND2 3.07Å | ||
| 243 | A | 86.9 | Confident | 95.7 | Very high | 86 Ų | 86 | 40 Ų | 40 | 71% | 0.711 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -63.4 | -24.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 244 | Y | 89.2 | Confident | 95.7 | Very high | 173 Ų | 173 | 40.6 Ų | 40.6 | 68% | 0.678 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -104.6 | -20.2 | -170.2 | -55.9 | -77.7 | 0 | 0 | 0 | 113.8 | D242 T267 | D242-Y244 PolarHBondContact O-N 3.38Å; D242-Y244 PolarHBondContact OD1-N 3.14Å; Y244-T267 HydrophobicContact CD2-CG2 3.45Å; Y244-T267 VanDerWaalsContact CD2-CG2 3.45Å; Y244-T267 HydrophobicContact CE2-CG2 3.56Å |
| 245 | G | 93.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | trans | 172.8 | -161.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S241 D242 T269 | S241-G245 WeakPolarHBondContact CA-O 3.19Å; S241-G245 WeakPolarHBondContact CB-O 3.44Å; D242-G245 PolarHBondContact N-O 3.1Å; D242-G245 PolarHBondContact OD1-N 2.92Å; G245-T269 WeakPolarHBondContact O-CG2 3.11Å | ||
| 246 | A | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I240 T275 I276 L281 | I240-A246 CarbonylContact O-C 3.52Å; I240-A246 WeakPolarHBondContact O-CA 3.36Å; I240-A246 WeakPolarHBondContact O-CB 3.39Å; A246-T275 WeakPolarHBondContact O-CA 3.39Å; A246-I276 HydrophobicContact CB-CD1 4.4Å; A246-I276 HydrophobicContact CB-CG1 3.65Å; A246-I276 PolarHBondContact N-O 2.67Å; A246-I276 PolarHBondContact O-N 2.76Å; A246-L281 HydrophobicContact CB-CB 4.01Å; A246-L281 HydrophobicContact CB-CD1 3.66Å; A246-L281 HydrophobicContact CB-CG 4.25Å |
| 247 | L | 97 | Very high | 95.4 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.9 | 170.7 | -57.6 | 179.3 | 0 | 0 | 0 | 108.6 | G239 I240 L253 L258 V268 T269 F272 T275 | G239-L247 WeakPolarHBondContact CA-O 3.34Å; I240-L247 HydrophobicContact CD1-CD1 4.35Å; I240-L247 HydrophobicContact CG1-CB 4.14Å; I240-L247 HydrophobicContact CG1-CD1 4.41Å; I240-L247 PolarHBondContact N-O 3.32Å; I240-L247 PolarHBondContact O-N 3.36Å; L247-L253 HydrophobicContact CB-CD1 4.27Å; L247-L253 HydrophobicContact CB-CD2 4.12Å; L247-L258 HydrophobicContact CD1-CD1 4.4Å; L247-L258 HydrophobicContact CD1-CD2 3.63Å; L247-V268 HydrophobicContact CD1-CG1 4.3Å; L247-T269 HydrophobicContact CD2-CG2 4.36Å; L247-T269 HydrophobicContact CG-CG2 4.03Å; L247-F272 HydrophobicContact CD1-CD2 3.63Å; L247-F272 HydrophobicContact CD1-CE2 3.54Å; L247-F272 HydrophobicContact CD1-CG 4.26Å; L247-F272 HydrophobicContact CD1-CZ 4.09Å; L247-F272 HydrophobicContact CD2-CB 3.71Å; L247-F272 HydrophobicContact CD2-CD1 4.45Å; L247-F272 HydrophobicContact CD2-CD2 3.71Å; L247-F272 HydrophobicContact CD2-CE2 4.45Å; L247-F272 HydrophobicContact CD2-CG 3.7Å; L247-F272 HydrophobicContact CG-CD2 4.32Å; L247-T275 HydrophobicContact CD2-CG2 4.04Å |
| 248 | H | 97.3 | Very high | 95.2 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 38% | 0.375 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 127.7 | 177 | 168.5 | -115.4 | 0 | 0 | 0 | 110.3 | V238 I276 L284 | V238-H248 CarbonylContact O-C 3.5Å; V238-H248 VanDerWaalsContact O-CA 3.28Å; V238-H248 WeakPolarHBondContact O-CA 3.24Å; V238-H248 PolarHBondContact O-CD2 3.25Å; H248-I276 HydrophobicContact CB-CD1 3.86Å; H248-L284 HydrophobicContact CB-CD1 4.22Å |
| 249 | D | 96.5 | Very high | 95 | Very high | 56 Ų | 56 | 44.9 Ų | 44.9 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | trans | -136.2 | 112.8 | 167.4 | -173.1 | -13.9 | 0 | 0 | 0 | 108.8 | V238 N251 G252 L253 | V238-D249 VanDerWaalsContact CA-O 3.32Å; V238-D249 WeakPolarHBondContact CA-O 3.41Å; V238-D249 WeakPolarHBondContact CB-O 3.25Å; V238-D249 PolarHBondContact O-N 3.15Å; D249-N251 PolarHBondContact O-N 2.95Å; D249-N251 VanDerWaalsContact O-N 3.09Å; D249-N251 WeakPolarHBondContact OD1-CA 3.49Å; D249-N251 VanDerWaalsContact OD1-CB 3.26Å; D249-N251 WeakPolarHBondContact OD1-CB 3.47Å; D249-N251 PolarHBondContact OD1-N 3.39Å; D249-G252 PolarHBondContact O-N 2.68Å; D249-L253 HydrophobicContact CB-CD2 3.73Å; D249-L253 HydrophobicContact CB-CG 4.19Å | ||
| 250 | P | 94.4 | Very high | 94.7 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16 | 177.2 | 28.2 | -35.5 | 0 | 0 | 0 | 112.7 | K236 | K236-P250 WeakPolarHBondContact CE-O 3.19Å; K236-P250 PolarHBondContact NZ-O 2.95Å |
| 251 | N | 94.6 | Very high | 94.5 | Very high | 127 Ų | 127 | 56.8 Ų | 56.8 | 68% | 0.679 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -3.8 | 172.8 | -60.5 | -50.3 | 0 | 0 | 0 | 114.4 | K236 D249 | K236-N251 WeakPolarHBondContact CE-O 3.41Å; K236-N251 VanDerWaalsContact NZ-CA 3.35Å; D249-N251 PolarHBondContact O-N 2.95Å; D249-N251 VanDerWaalsContact O-N 3.09Å; D249-N251 WeakPolarHBondContact OD1-CA 3.49Å; D249-N251 VanDerWaalsContact OD1-CB 3.26Å; D249-N251 WeakPolarHBondContact OD1-CB 3.47Å; D249-N251 PolarHBondContact OD1-N 3.39Å |
| 252 | G | 96.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 60 Ų | 60 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | trans | 97 | 132.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I237 D249 | I237-G252 CarbonylContact O-C 3.44Å; I237-G252 WeakPolarHBondContact O-CA 3.06Å; D249-G252 PolarHBondContact O-N 2.68Å | ||
| 253 | L | 96.7 | Very high | 93.7 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | trans | -77.6 | 143.6 | 177.8 | -64.3 | 167.8 | 0 | 0 | 0 | 110.8 | I237 I240 L247 D249 I255 L258 | I237-L253 WeakPolarHBondContact O-CB 3.48Å; I237-L253 PolarHBondContact O-N 3.1Å; I240-L253 HydrophobicContact CB-CD1 4.35Å; I240-L253 HydrophobicContact CG1-CD1 3.91Å; I240-L253 HydrophobicContact CG2-CD1 4.04Å; L247-L253 HydrophobicContact CB-CD1 4.27Å; L247-L253 HydrophobicContact CB-CD2 4.12Å; D249-L253 HydrophobicContact CB-CD2 3.73Å; D249-L253 HydrophobicContact CB-CG 4.19Å; L253-I255 HydrophobicContact CB-CD1 4.1Å; L253-I255 PolarHBondContact O-N 2.79Å; L253-I255 VanDerWaalsContact O-N 3.08Å; L253-L258 HydrophobicContact CB-CD1 3.91Å; L253-L258 HydrophobicContact CD1-CD1 4.4Å | ||
| 254 | D | 95.6 | Very high | 93.2 | Very high | 88 Ų | 88 | 63.7 Ų | 63.7 | 47% | 0.471 | 32% | 0.324 | S | S | . | . | trans | -75.6 | 94.9 | 171.5 | -174 | -21.1 | 0 | 0 | 0 | 109.8 | D256 Y257 L258 | D254-D256 PolarHBondContact OD1-N 2.82Å; D254-Y257 PolarHBondContact O-N 2.87Å; D254-Y257 WeakPolarHBondContact OD1-CB 3.42Å; D254-Y257 PolarHBondContact OD1-N 3.36Å; D254-L258 VanDerWaalsContact O-CG 3.23Å; D254-L258 WeakPolarHBondContact O-CG 3.24Å; D254-L258 PolarHBondContact O-N 3.29Å; D254-L258 VanDerWaalsContact O-N 3.1Å | ||
| 255 | I | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.2 | -36.9 | -174.5 | -62.6 | -50.8 | 0 | 0 | 0 | 112.3 | A227 Y231 I237 L253 Y257 L258 L259 | A227-I255 HydrophobicContact CB-CD1 4.28Å; A227-I255 HydrophobicContact CB-CG2 4.05Å; Y231-I255 HydrophobicContact CD1-CB 4.35Å; Y231-I255 HydrophobicContact CD2-CB 4.15Å; Y231-I255 HydrophobicContact CD2-CG1 3.94Å; Y231-I255 HydrophobicContact CG-CB 3.96Å; Y231-I255 HydrophobicContact CG-CG1 4.06Å; I237-I255 HydrophobicContact CB-CD1 3.77Å; I237-I255 HydrophobicContact CB-CG1 4Å; I237-I255 HydrophobicContact CG1-CD1 3.97Å; I237-I255 HydrophobicContact CG1-CG1 3.75Å; I237-I255 HydrophobicContact CG2-CD1 3.84Å; L253-I255 HydrophobicContact CB-CD1 4.1Å; L253-I255 PolarHBondContact O-N 2.79Å; L253-I255 VanDerWaalsContact O-N 3.08Å; I255-Y257 VanDerWaalsContact C-N 3.35Å; I255-L258 HydrophobicContact CD1-CD1 4.24Å; I255-L258 PolarHBondContact O-N 3.39Å; I255-L259 HydrophobicContact CG2-CD1 3.77Å; I255-L259 HydrophobicContact CG2-CG 4.15Å; I255-L259 WeakPolarHBondContact O-CB 3.37Å; I255-L259 WeakPolarHBondContact O-CG 3.42Å; I255-L259 PolarHBondContact O-N 3.31Å |
| 256 | D | 95.5 | Very high | 91.8 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.8 | -69.8 | -32.9 | 0 | 0 | 0 | 110 | K228 D254 L258 L259 D260 | K228-D256 WeakPolarHBondContact CE-OD1 3.45Å; K228-D256 IonicContact NZ-OD1 2.83Å; K228-D256 PolarHBondContact NZ-OD1 3.12Å; K228-D256 IonicContact NZ-OD2 3.25Å; D254-D256 PolarHBondContact OD1-N 2.82Å; D256-L258 VanDerWaalsContact C-N 3.34Å; D256-L258 PolarHBondContact O-N 3.4Å; D256-L259 PolarHBondContact O-N 3.1Å; D256-D260 PolarHBondContact O-N 3.11Å; D256-D260 VanDerWaalsContact O-N 3.16Å |
| 257 | Y | 95.3 | Very high | 91.3 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 37% | 0.373 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 174.2 | 178.5 | -83.8 | 0 | 0 | 0 | 113.2 | D254 I255 R261 F272 | D254-Y257 PolarHBondContact O-N 2.87Å; D254-Y257 WeakPolarHBondContact OD1-CB 3.42Å; D254-Y257 PolarHBondContact OD1-N 3.36Å; I255-Y257 VanDerWaalsContact C-N 3.35Å; Y257-R261 VanDerWaalsContact CE2-NH2 3.31Å; Y257-R261 VanDerWaalsContact CZ-CD 3.46Å; Y257-R261 PolarHBondContact O-NH1 3.08Å; Y257-R261 PolarHBondContact OH-NE 3.03Å; Y257-R261 VanDerWaalsContact OH-NE 3.1Å; Y257-F272 HydrophobicContact CD1-CZ 4.43Å; Y257-F272 HydrophobicContact CE1-CE1 4.49Å; Y257-F272 AromaticContact CE1-CZ 3.86Å; Y257-F272 HydrophobicContact CE1-CZ 3.86Å |
| 258 | L | 95.5 | Very high | 91 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.4 | -37.6 | -178.8 | -68.1 | 169.9 | 0 | 0 | 0 | 111.9 | F219 I240 L247 L253 D254 I255 D256 D260 R261 R262 V268 F272 | F219-L258 HydrophobicContact CE1-CB 4.08Å; F219-L258 HydrophobicContact CZ-CB 4.08Å; I240-L258 HydrophobicContact CD1-CD1 3.76Å; I240-L258 HydrophobicContact CG1-CD1 4.46Å; L247-L258 HydrophobicContact CD1-CD1 4.4Å; L247-L258 HydrophobicContact CD1-CD2 3.63Å; L253-L258 HydrophobicContact CB-CD1 3.91Å; L253-L258 HydrophobicContact CD1-CD1 4.4Å; D254-L258 VanDerWaalsContact O-CG 3.23Å; D254-L258 WeakPolarHBondContact O-CG 3.24Å; D254-L258 PolarHBondContact O-N 3.29Å; D254-L258 VanDerWaalsContact O-N 3.1Å; I255-L258 HydrophobicContact CD1-CD1 4.24Å; I255-L258 PolarHBondContact O-N 3.39Å; D256-L258 VanDerWaalsContact C-N 3.34Å; D256-L258 PolarHBondContact O-N 3.4Å; L258-D260 VanDerWaalsContact C-N 3.34Å; L258-D260 PolarHBondContact O-N 3.45Å; L258-R261 PolarHBondContact O-N 3Å; L258-R262 PolarHBondContact O-N 3.5Å; L258-R262 VanDerWaalsContact O-N 3.12Å; L258-V268 HydrophobicContact CB-CG2 4.33Å; L258-V268 HydrophobicContact CD2-CG1 4.22Å; L258-V268 HydrophobicContact CD2-CG2 3.67Å; L258-F272 HydrophobicContact CD2-CE2 3.63Å; L258-F272 HydrophobicContact CD2-CZ 3.56Å |
| 259 | L | 92.8 | Very high | 90.7 | Very high | 35 Ų | 35 | 57.9 Ų | 57.9 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 176.3 | -74.5 | 169.1 | 0 | 0 | 0 | 112.6 | F219 K228 I255 D256 R261 R262 | F219-L259 HydrophobicContact CE1-CD2 4.16Å; F219-L259 HydrophobicContact CZ-CD2 3.92Å; F219-L259 HydrophobicContact CZ-CG 4.18Å; K228-L259 HydrophobicContact CB-CD1 3.84Å; K228-L259 HydrophobicContact CD-CD1 3.95Å; K228-L259 HydrophobicContact CG-CD1 4.08Å; I255-L259 HydrophobicContact CG2-CD1 3.77Å; I255-L259 HydrophobicContact CG2-CG 4.15Å; I255-L259 WeakPolarHBondContact O-CB 3.37Å; I255-L259 WeakPolarHBondContact O-CG 3.42Å; I255-L259 PolarHBondContact O-N 3.31Å; D256-L259 PolarHBondContact O-N 3.1Å; L259-R261 PolarHBondContact O-N 3.16Å; L259-R262 WeakPolarHBondContact O-CG 3.26Å |
| 260 | D | 92.5 | Very high | 90.3 | Very high | 140 Ų | 140 | 60.2 Ų | 60.2 | 75% | 0.749 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.5 | -21.3 | 178.4 | -80.8 | -6.7 | 0 | 0 | 0 | 113.3 | D256 L258 | D256-D260 PolarHBondContact O-N 3.11Å; D256-D260 VanDerWaalsContact O-N 3.16Å; L258-D260 VanDerWaalsContact C-N 3.34Å; L258-D260 PolarHBondContact O-N 3.45Å |
| 261 | R | 92.4 | Very high | 90 | Very high | 110 Ų | 110 | 61.5 Ų | 61.5 | 42% | 0.415 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -109 | -11.7 | -172.2 | -83.4 | 175 | -178.2 | 71.2 | 1.7 | 115.3 | Y257 L258 L259 V268 L271 | Y257-R261 VanDerWaalsContact CE2-NH2 3.31Å; Y257-R261 VanDerWaalsContact CZ-CD 3.46Å; Y257-R261 PolarHBondContact O-NH1 3.08Å; Y257-R261 PolarHBondContact OH-NE 3.03Å; Y257-R261 VanDerWaalsContact OH-NE 3.1Å; L258-R261 PolarHBondContact O-N 3Å; L259-R261 PolarHBondContact O-N 3.16Å; R261-V268 HydrophobicContact CB-CG2 4.28Å; R261-L271 HydrophobicContact CB-CD1 3.64Å; R261-L271 HydrophobicContact CG-CD1 4.17Å |
| 262 | R | 88.6 | Confident | 89.9 | Confident | 69 Ų | 69 | 59 Ų | 59 | 26% | 0.26 | 30% | 0.3 | S | S | . | . | trans | -65.9 | 147 | 178.9 | 73.8 | -170.9 | 179.4 | 141.9 | -8.9 | 111.3 | F219 S224 L258 L259 T267 V268 | F219-R262 HydrophobicContact CD1-CB 4.46Å; S224-R262 VanDerWaalsContact OG-CZ 3.28Å; S224-R262 PolarHBondContact OG-NH1 3.16Å; S224-R262 PolarHBondContact OG-NH2 3.37Å; L258-R262 PolarHBondContact O-N 3.5Å; L258-R262 VanDerWaalsContact O-N 3.12Å; L259-R262 WeakPolarHBondContact O-CG 3.26Å; R262-T267 CarbonylContact C-O 3.39Å; R262-T267 WeakPolarHBondContact CA-O 3.32Å; R262-V268 HydrophobicContact CB-CB 4.2Å | ||
| 263 | D | 83 | Confident | 89.4 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 33% | 0.326 | 33% | 0.334 | S | S | . | . | trans | -74 | 176.7 | 170.4 | 73.9 | 11.3 | 0 | 0 | 0 | 112 | F265 G266 T267 | D263-F265 PolarHBondContact O-N 2.85Å; D263-F265 VanDerWaalsContact O-N 3.08Å; D263-F265 VanDerWaalsContact OD1-C 3.28Å; D263-F265 VanDerWaalsContact OD1-CA 3.24Å; D263-F265 WeakPolarHBondContact OD1-CA 3.48Å; D263-F265 WeakPolarHBondContact OD1-CB 3.43Å; D263-F265 PolarHBondContact OD1-N 2.91Å; D263-G266 PolarHBondContact O-N 2.89Å; D263-G266 PolarHBondContact OD1-N 2.96Å; D263-T267 VanDerWaalsContact CG-CB 3.48Å; D263-T267 PolarHBondContact N-O 3.21Å; D263-T267 WeakPolarHBondContact OD1-CB 3.17Å; D263-T267 PolarHBondContact OD1-N 3.32Å; D263-T267 PolarHBondContact OD1-OG1 3.34Å; D263-T267 WeakPolarHBondContact OD2-CB 3.26Å; D263-T267 PolarHBondContact OD2-OG1 2.69Å | ||
| 264 | S | 77.6 | Confident | 89 | Confident | 115 Ų | 115 | 75 Ų | 75 | 80% | 0.804 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.6 | 177.2 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 265 | F | 72.5 | Confident | 88.9 | Confident | 128 Ų | 128 | 74 Ų | 74 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -6.1 | 177 | -59.6 | -72.3 | 0 | 0 | 0 | 112.8 | D263 | D263-F265 PolarHBondContact O-N 2.85Å; D263-F265 VanDerWaalsContact O-N 3.08Å; D263-F265 VanDerWaalsContact OD1-C 3.28Å; D263-F265 VanDerWaalsContact OD1-CA 3.24Å; D263-F265 WeakPolarHBondContact OD1-CA 3.48Å; D263-F265 WeakPolarHBondContact OD1-CB 3.43Å; D263-F265 PolarHBondContact OD1-N 2.91Å |
| 266 | G | 80.3 | Confident | 88.9 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | trans | 85.3 | 18.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | F219 D263 | F219-G266 WeakPolarHBondContact O-CA 3.38Å; D263-G266 PolarHBondContact O-N 2.89Å; D263-G266 PolarHBondContact OD1-N 2.96Å | ||
| 267 | T | 86.6 | Confident | 88.8 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | trans | -79.5 | 132.3 | 172.5 | -46.4 | 0 | 0 | 0 | 0 | 110 | D242 Y244 R262 D263 N270 | D242-T267 WeakPolarHBondContact OD2-CA 3.3Å; D242-T267 WeakPolarHBondContact OD2-CG2 3.33Å; Y244-T267 HydrophobicContact CD2-CG2 3.45Å; Y244-T267 VanDerWaalsContact CD2-CG2 3.45Å; Y244-T267 HydrophobicContact CE2-CG2 3.56Å; R262-T267 CarbonylContact C-O 3.39Å; R262-T267 WeakPolarHBondContact CA-O 3.32Å; D263-T267 VanDerWaalsContact CG-CB 3.48Å; D263-T267 PolarHBondContact N-O 3.21Å; D263-T267 WeakPolarHBondContact OD1-CB 3.17Å; D263-T267 PolarHBondContact OD1-N 3.32Å; D263-T267 PolarHBondContact OD1-OG1 3.34Å; D263-T267 WeakPolarHBondContact OD2-CB 3.26Å; D263-T267 PolarHBondContact OD2-OG1 2.69Å; T267-N270 HydrophobicContact CG2-CB 4.42Å | ||
| 268 | V | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -142.6 | -18.5 | 174.7 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | F219 I240 D242 L247 L258 R261 R262 N270 L271 F272 | F219-V268 HydrophobicContact CD1-CG1 4.01Å; F219-V268 HydrophobicContact CE1-CG1 4.42Å; I240-V268 HydrophobicContact CD1-CG1 3.75Å; D242-V268 PolarHBondContact OD2-N 3.43Å; L247-V268 HydrophobicContact CD1-CG1 4.3Å; L258-V268 HydrophobicContact CB-CG2 4.33Å; L258-V268 HydrophobicContact CD2-CG1 4.22Å; L258-V268 HydrophobicContact CD2-CG2 3.67Å; R261-V268 HydrophobicContact CB-CG2 4.28Å; R262-V268 HydrophobicContact CB-CB 4.2Å; V268-N270 VanDerWaalsContact C-N 3.27Å; V268-N270 PolarHBondContact O-N 3Å; V268-L271 HydrophobicContact CG2-CD1 4.29Å; V268-L271 PolarHBondContact O-N 3.34Å; V268-F272 HydrophobicContact CG2-CE2 4.32Å; V268-F272 WeakPolarHBondContact O-CD2 3.12Å | ||
| 269 | T | 90 | Very high | 88.3 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -65 | -29.6 | -175.6 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | D242 G245 L247 L271 F272 | D242-T269 VanDerWaalsContact CG-CG2 3.42Å; D242-T269 WeakPolarHBondContact OD1-CG2 3.43Å; D242-T269 PolarHBondContact OD1-OG1 3.49Å; D242-T269 WeakPolarHBondContact OD2-CB 3.19Å; D242-T269 WeakPolarHBondContact OD2-CG2 3.1Å; D242-T269 PolarHBondContact OD2-N 3.09Å; D242-T269 PolarHBondContact OD2-OG1 3.09Å; G245-T269 WeakPolarHBondContact O-CG2 3.11Å; L247-T269 HydrophobicContact CD2-CG2 4.36Å; L247-T269 HydrophobicContact CG-CG2 4.03Å; T269-L271 PolarHBondContact O-N 3.44Å; T269-F272 PolarHBondContact O-N 3.38Å |
| 270 | N | 88.7 | Confident | 88.3 | Confident | 105 Ų | 105 | 81.9 Ų | 81.9 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -63.6 | -9.3 | 178.4 | 65.2 | -19.4 | 0 | 0 | 0 | 114.5 | T267 V268 | T267-N270 HydrophobicContact CG2-CB 4.42Å; V268-N270 VanDerWaalsContact C-N 3.27Å; V268-N270 PolarHBondContact O-N 3Å |
| 271 | L | 89.3 | Confident | 88.5 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -88.3 | -4.8 | 175.4 | -57.1 | 179.4 | 0 | 0 | 0 | 113.3 | R261 V268 T269 | R261-L271 HydrophobicContact CB-CD1 3.64Å; R261-L271 HydrophobicContact CG-CD1 4.17Å; V268-L271 HydrophobicContact CG2-CD1 4.29Å; V268-L271 PolarHBondContact O-N 3.34Å; T269-L271 PolarHBondContact O-N 3.44Å |
| 272 | F | 92.1 | Very high | 88.7 | Confident | 74 Ų | 74 | 70.2 Ų | 70.2 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | trans | -122.6 | 141.5 | -174.5 | -60 | -94.8 | 0 | 0 | 0 | 110.6 | L247 Y257 L258 V268 T269 | L247-F272 HydrophobicContact CD1-CD2 3.63Å; L247-F272 HydrophobicContact CD1-CE2 3.54Å; L247-F272 HydrophobicContact CD1-CG 4.26Å; L247-F272 HydrophobicContact CD1-CZ 4.09Å; L247-F272 HydrophobicContact CD2-CB 3.71Å; L247-F272 HydrophobicContact CD2-CD1 4.45Å; L247-F272 HydrophobicContact CD2-CD2 3.71Å; L247-F272 HydrophobicContact CD2-CE2 4.45Å; L247-F272 HydrophobicContact CD2-CG 3.7Å; L247-F272 HydrophobicContact CG-CD2 4.32Å; Y257-F272 HydrophobicContact CD1-CZ 4.43Å; Y257-F272 HydrophobicContact CE1-CE1 4.49Å; Y257-F272 AromaticContact CE1-CZ 3.86Å; Y257-F272 HydrophobicContact CE1-CZ 3.86Å; L258-F272 HydrophobicContact CD2-CE2 3.63Å; L258-F272 HydrophobicContact CD2-CZ 3.56Å; V268-F272 HydrophobicContact CG2-CE2 4.32Å; V268-F272 WeakPolarHBondContact O-CD2 3.12Å; T269-F272 PolarHBondContact O-N 3.38Å | ||
| 273 | E | 86.2 | Confident | 88.9 | Confident | 198 Ų | 198 | 69.7 Ų | 69.7 | 93% | 0.925 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -80.8 | -37.7 | 178.1 | -63.9 | -174.7 | 172.1 | 0 | 0 | 111.9 | T275 | E273-T275 PolarHBondContact O-N 3.41Š|
| 274 | E | 87.6 | Confident | 89.6 | Confident | 182 Ų | 182 | 67.9 Ų | 67.9 | 85% | 0.85 | 35% | 0.346 | S | S | * | . | trans | -90.8 | 94.8 | 179.7 | -65 | -175.4 | 178.2 | 0 | 0 | 110.2 | ||||
| 275 | T | 93.9 | Very high | 90.5 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | trans | -119.3 | 147.8 | 174.4 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | A246 L247 E273 | A246-T275 WeakPolarHBondContact O-CA 3.39Å; L247-T275 HydrophobicContact CD2-CG2 4.04Å; E273-T275 PolarHBondContact O-N 3.41Å | ||
| 276 | I | 95.2 | Very high | 91.7 | Very high | 44 Ų | 44 | 61.2 Ų | 61.2 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -103.8 | 163.5 | 168.7 | 68.8 | -179.7 | 0 | 0 | 0 | 109.5 | A246 H248 E280 L284 | A246-I276 HydrophobicContact CB-CD1 4.4Å; A246-I276 HydrophobicContact CB-CG1 3.65Å; A246-I276 PolarHBondContact N-O 2.67Å; A246-I276 PolarHBondContact O-N 2.76Å; H248-I276 HydrophobicContact CB-CD1 3.86Å; I276-E280 HydrophobicContact CB-CB 4.16Å; I276-E280 HydrophobicContact CD1-CB 4.2Å; I276-E280 HydrophobicContact CG1-CB 4.36Å; I276-L284 HydrophobicContact CD1-CD1 4.07Å; I276-L284 HydrophobicContact CD1-CD2 4.13Å; I276-L284 HydrophobicContact CD1-CG 4.35Å |
| 277 | S | 93.9 | Very high | 92.5 | Very high | 51 Ų | 51 | 63.8 Ų | 63.8 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | trans | -70.9 | 157 | 175.2 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | K279 E280 L281 | S277-K279 PolarHBondContact O-N 2.82Å; S277-E280 VanDerWaalsContact CB-OE2 3.25Å; S277-E280 WeakPolarHBondContact CB-OE2 3.21Å; S277-E280 PolarHBondContact N-OE2 2.97Å; S277-E280 PolarHBondContact O-N 3.26Å; S277-E280 VanDerWaalsContact OG-CG 3.29Å; S277-E280 WeakPolarHBondContact OG-CG 3.46Å; S277-E280 PolarHBondContact OG-N 3.47Å; S277-E280 PolarHBondContact OG-OE2 2.92Å; S277-L281 PolarHBondContact O-N 3.43Å; S277-L281 VanDerWaalsContact O-N 3.12Å | ||
| 278 | N | 89.6 | Confident | 93.1 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.5 | -31.7 | 170.8 | -90 | -60.3 | 0 | 0 | 0 | 112.2 | S241 D242 L281 F282 | S241-N278 WeakPolarHBondContact CB-OD1 3.48Å; S241-N278 PolarHBondContact OG-OD1 2.85Å; D242-N278 PolarHBondContact O-ND2 3.07Å; N278-L281 WeakPolarHBondContact O-CB 3.02Å; N278-F282 WeakPolarHBondContact O-CD2 3.34Å |
| 279 | K | 90.4 | Very high | 93.5 | Very high | 129 Ų | 129 | 63.5 Ų | 63.5 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.5 | -49.2 | 176.7 | -176.3 | -179.1 | 175.3 | -178 | 0 | 111.4 | S277 L281 F282 E283 | S277-K279 PolarHBondContact O-N 2.82Å; K279-L281 PolarHBondContact O-N 2.89Å; K279-F282 PolarHBondContact O-N 2.94Å; K279-F282 VanDerWaalsContact O-N 3.14Å; K279-E283 WeakPolarHBondContact CE-OE1 3.3Å |
| 280 | E | 94.4 | Very high | 93.9 | Very high | 97 Ų | 97 | 63.3 Ų | 63.3 | 45% | 0.453 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.8 | -32.6 | 178.6 | -71.9 | 163 | 122.1 | 0 | 0 | 112 | I276 S277 F282 E283 L284 | I276-E280 HydrophobicContact CB-CB 4.16Å; I276-E280 HydrophobicContact CD1-CB 4.2Å; I276-E280 HydrophobicContact CG1-CB 4.36Å; S277-E280 VanDerWaalsContact CB-OE2 3.25Å; S277-E280 WeakPolarHBondContact CB-OE2 3.21Å; S277-E280 PolarHBondContact N-OE2 2.97Å; S277-E280 PolarHBondContact O-N 3.26Å; S277-E280 VanDerWaalsContact OG-CG 3.29Å; S277-E280 WeakPolarHBondContact OG-CG 3.46Å; S277-E280 PolarHBondContact OG-N 3.47Å; S277-E280 PolarHBondContact OG-OE2 2.92Å; E280-F282 VanDerWaalsContact C-N 3.28Å; E280-F282 PolarHBondContact O-N 2.84Å; E280-E283 PolarHBondContact O-N 2.72Å; E280-E283 VanDerWaalsContact O-N 3.11Å; E280-L284 PolarHBondContact O-N 3.19Å |
| 281 | L | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.8 | -42 | 175.1 | -171.6 | 84.2 | 0 | 0 | 0 | 112.5 | V215 Q217 A246 S277 N278 K279 E283 L284 | V215-L281 HydrophobicContact CG1-CD1 3.87Å; V215-L281 HydrophobicContact CG1-CD2 3.89Å; V215-L281 HydrophobicContact CG1-CG 3.56Å; Q217-L281 HydrophobicContact CB-CD2 4Å; Q217-L281 HydrophobicContact CG-CD2 4.39Å; A246-L281 HydrophobicContact CB-CB 4.01Å; A246-L281 HydrophobicContact CB-CD1 3.66Å; A246-L281 HydrophobicContact CB-CG 4.25Å; S277-L281 PolarHBondContact O-N 3.43Å; S277-L281 VanDerWaalsContact O-N 3.12Å; N278-L281 WeakPolarHBondContact O-CB 3.02Å; K279-L281 PolarHBondContact O-N 2.89Å; L281-E283 PolarHBondContact O-N 3.07Å; L281-L284 HydrophobicContact CD1-CD1 3.82Å; L281-L284 HydrophobicContact CG-CD1 4.38Å; L281-L284 WeakPolarHBondContact O-CB 3.4Å; L281-L284 WeakPolarHBondContact O-CG 3.14Å; L281-L284 PolarHBondContact O-N 2.96Å |
| 282 | F | 95.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.7 | -22.3 | -178.6 | -79.4 | -83.6 | 0 | 0 | 0 | 113.1 | Q217 N278 K279 E280 L289 P291 Q297 I298 I306 | Q217-F282 HydrophobicContact CB-CE2 4.34Å; Q217-F282 HydrophobicContact CB-CZ 3.91Å; Q217-F282 HydrophobicContact CG-CE2 3.95Å; Q217-F282 HydrophobicContact CG-CZ 3.84Å; N278-F282 WeakPolarHBondContact O-CD2 3.34Å; K279-F282 PolarHBondContact O-N 2.94Å; K279-F282 VanDerWaalsContact O-N 3.14Å; E280-F282 VanDerWaalsContact C-N 3.28Å; E280-F282 PolarHBondContact O-N 2.84Å; F282-L289 HydrophobicContact CD1-CD1 4.08Å; F282-L289 HydrophobicContact CD1-CD2 3.72Å; F282-L289 HydrophobicContact CD1-CG 4.4Å; F282-L289 HydrophobicContact CE1-CD1 4.29Å; F282-L289 HydrophobicContact CE1-CD2 4.19Å; F282-P291 HydrophobicContact CE1-CB 4.33Å; F282-P291 HydrophobicContact CZ-CB 4.48Å; F282-Q297 HydrophobicContact CE1-CB 4.32Å; F282-Q297 HydrophobicContact CE2-CB 4.05Å; F282-Q297 HydrophobicContact CZ-CB 3.59Å; F282-Q297 HydrophobicContact CZ-CG 4.48Å; F282-I298 HydrophobicContact CD1-CD1 4.28Å; F282-I298 HydrophobicContact CD1-CG1 3.89Å; F282-I298 HydrophobicContact CE1-CD1 4.05Å; F282-I298 HydrophobicContact CE1-CG1 3.65Å; F282-I306 HydrophobicContact CB-CD1 3.82Å; F282-I306 HydrophobicContact CD1-CD1 4.07Å; F282-I306 HydrophobicContact CG-CD1 4.43Å; F282-I306 VanDerWaalsContact O-CD1 3.24Å; F282-I306 WeakPolarHBondContact O-CD1 3.33Å |
| 283 | E | 94 | Very high | 94.4 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 27% | 0.271 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -0.7 | -176.8 | -57.2 | 175.3 | -165.6 | 0 | 0 | 112.8 | K279 E280 L281 D305 K307 | K279-E283 WeakPolarHBondContact CE-OE1 3.3Å; E280-E283 PolarHBondContact O-N 2.72Å; E280-E283 VanDerWaalsContact O-N 3.11Å; L281-E283 PolarHBondContact O-N 3.07Å; E283-D305 HydrophobicContact CG-CB 3.91Å; E283-K307 WeakPolarHBondContact O-CE 3.02Å; E283-K307 PolarHBondContact O-NZ 2.92Å |
| 284 | L | 96.6 | Very high | 94.4 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -63.9 | 149 | 179.1 | -67.6 | 177.8 | 0 | 0 | 0 | 112.3 | V215 H248 I276 E280 L281 C286 | V215-L284 HydrophobicContact CG2-CB 4.13Å; V215-L284 HydrophobicContact CG2-CD1 4.05Å; H248-L284 HydrophobicContact CB-CD1 4.22Å; I276-L284 HydrophobicContact CD1-CD1 4.07Å; I276-L284 HydrophobicContact CD1-CD2 4.13Å; I276-L284 HydrophobicContact CD1-CG 4.35Å; E280-L284 PolarHBondContact O-N 3.19Å; L281-L284 HydrophobicContact CD1-CD1 3.82Å; L281-L284 HydrophobicContact CG-CD1 4.38Å; L281-L284 WeakPolarHBondContact O-CB 3.4Å; L281-L284 WeakPolarHBondContact O-CG 3.14Å; L281-L284 PolarHBondContact O-N 2.96Å; L284-C286 PolarHBondContact O-N 2.86Å |
| 285 | D | 96.3 | Very high | 94.3 | Very high | 94 Ų | 94 | 42.2 Ų | 42.2 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | trans | -75.6 | 103.2 | 172.5 | 178.7 | 55.7 | 0 | 0 | 0 | 110.2 | K213 K307 | K213-D285 IonicContact NZ-OD2 2.76Å; K213-D285 PolarHBondContact NZ-OD2 2.9Å; D285-K307 HydrophobicContact CB-CD 4.21Å | ||
| 286 | C | 98.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | trans | -141.3 | 162.9 | 177.9 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | K213 V215 V238 L284 A308 | K213-C286 HydrophobicContact CB-CB 4.2Å; V215-C286 HydrophobicContact CB-CB 4.33Å; V215-C286 HydrophobicContact CG2-CB 3.62Å; V238-C286 HydrophobicContact CG2-CB 4.36Å; L284-C286 PolarHBondContact O-N 2.86Å; C286-A308 VanDerWaalsContact O-CA 3.28Å; C286-A308 WeakPolarHBondContact O-CA 3.38Å | ||
| 287 | D | 98.3 | Very high | 94 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -83.9 | -39.1 | 175.9 | -65.4 | -61.4 | 0 | 0 | 0 | 110.9 | M207 A212 K213 S309 I310 | M207-D287 HydrophobicContact CE-CB 3.73Å; M207-D287 HydrophobicContact SD-CB 3.89Å; A212-D287 HydrophobicContact CB-CB 4.35Å; K213-D287 PolarHBondContact N-OD2 2.67Å; K213-D287 PolarHBondContact O-N 3.21Å; D287-S309 PolarHBondContact O-N 2.87Å; D287-S309 PolarHBondContact O-OG 2.99Å; D287-S309 VanDerWaalsContact O-OG 3.04Å; D287-I310 PolarHBondContact O-N 3.29Å; D287-I310 VanDerWaalsContact O-N 3.16Å |
| 288 | I | 98.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.8 | -173.6 | -49.2 | -178.6 | 0 | 0 | 0 | 109.9 | I198 M207 I209 K213 V214 V215 V290 I310 | I198-I288 HydrophobicContact CD1-CG2 4.45Å; I198-I288 HydrophobicContact CG1-CG2 4.33Å; I198-I288 HydrophobicContact CG2-CD1 3.75Å; M207-I288 HydrophobicContact SD-CD1 4.15Å; M207-I288 HydrophobicContact SD-CG1 4.07Å; I209-I288 HydrophobicContact CD1-CD1 4.07Å; K213-I288 PolarHBondContact O-N 2.86Å; K213-I288 VanDerWaalsContact O-N 3.16Å; V214-I288 WeakPolarHBondContact CA-O 3.44Å; V214-I288 HydrophobicContact CG1-CB 4.41Å; V214-I288 HydrophobicContact CG2-CB 4.27Å; V214-I288 HydrophobicContact CG2-CD1 4.47Å; V215-I288 PolarHBondContact N-O 3.02Å; I288-V290 HydrophobicContact CG2-CG2 4.12Å; I288-I310 WeakPolarHBondContact CA-O 3.45Å; I288-I310 HydrophobicContact CG1-CB 4.35Å; I288-I310 HydrophobicContact CG1-CD1 4.44Å; I288-I310 HydrophobicContact CG2-CB 4.46Å; I288-I310 HydrophobicContact CG2-CG2 4.4Å |
| 289 | L | 98.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.8 | 174.6 | 172.1 | 67.8 | 0 | 0 | 0 | 110.4 | V215 F282 I298 I306 A308 I310 V311 V312 | V215-L289 HydrophobicContact CB-CD1 4.01Å; V215-L289 HydrophobicContact CG1-CD1 3.67Å; F282-L289 HydrophobicContact CD1-CD1 4.08Å; F282-L289 HydrophobicContact CD1-CD2 3.72Å; F282-L289 HydrophobicContact CD1-CG 4.4Å; F282-L289 HydrophobicContact CE1-CD1 4.29Å; F282-L289 HydrophobicContact CE1-CD2 4.19Å; L289-I298 HydrophobicContact CD2-CD1 4.03Å; L289-I306 HydrophobicContact CD2-CD1 3.87Å; L289-I306 HydrophobicContact CD2-CG2 3.92Å; L289-A308 HydrophobicContact CB-CB 3.62Å; L289-I310 PolarHBondContact N-O 3.18Å; L289-V311 HydrophobicContact CB-CG2 4.35Å; L289-V311 HydrophobicContact CD2-CG2 4.3Å; L289-V311 CarbonylContact O-C 3.57Å; L289-V311 VanDerWaalsContact O-CA 3.31Å; L289-V311 WeakPolarHBondContact O-CA 3.34Å; L289-V312 PolarHBondContact O-N 3.33Å |
| 290 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 97.7 | -178.1 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | V194 I198 V214 V215 I216 Q217 L226 I288 A292 V312 A314 | V194-V290 HydrophobicContact CG1-CG1 4.13Å; I198-V290 HydrophobicContact CD1-CG2 3.86Å; V214-V290 HydrophobicContact CG1-CG2 4.38Å; V215-V290 PolarHBondContact O-N 2.93Å; I216-V290 WeakPolarHBondContact CA-O 3.14Å; I216-V290 HydrophobicContact CG1-CB 4.31Å; Q217-V290 PolarHBondContact N-O 3.34Å; L226-V290 HydrophobicContact CD2-CB 3.99Å; L226-V290 HydrophobicContact CD2-CG1 3.29Å; L226-V290 HydrophobicContact CD2-CG2 4.19Å; I288-V290 HydrophobicContact CG2-CG2 4.12Å; V290-A292 HydrophobicContact CG1-CB 4.44Å; V290-A292 PolarHBondContact O-N 3.41Å; V290-V312 WeakPolarHBondContact CA-O 3.32Å; V290-V312 WeakPolarHBondContact CG1-O 3.15Å; V290-V312 HydrophobicContact CG2-CB 4.48Å; V290-A314 HydrophobicContact CG1-CB 3.85Å |
| 291 | P | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 113.4 | 169.1 | 27.1 | -32.8 | 0 | 0 | 0 | 111.5 | F282 I298 V311 V312 E313 A314 A315 P318 | F282-P291 HydrophobicContact CE1-CB 4.33Å; F282-P291 HydrophobicContact CZ-CB 4.48Å; P291-I298 HydrophobicContact CG-CD1 4.33Å; P291-V311 HydrophobicContact CG-CG1 4.44Å; P291-V312 WeakPolarHBondContact CD-O 3.4Å; P291-E313 HydrophobicContact CG-CG 4.33Å; P291-A314 PolarHBondContact O-N 3.06Å; P291-A315 PolarHBondContact O-N 3.37Å; P291-P318 HydrophobicContact CB-CB 3.57Å; P291-P318 HydrophobicContact CB-CG 4.02Å; P291-P318 HydrophobicContact CG-CB 3.8Å; P291-P318 HydrophobicContact CG-CG 3.71Å |
| 292 | A | 94.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | trans | -129.2 | 15.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I216 Q217 V290 A314 | I216-A292 HydrophobicContact CG2-CB 4.39Å; Q217-A292 CarbonylContact O-C 3.52Å; Q217-A292 VanDerWaalsContact O-C 3.25Å; Q217-A292 WeakPolarHBondContact O-CA 3.4Å; Q217-A292 WeakPolarHBondContact O-CB 3.42Å; Q217-A292 PolarHBondContact O-N 3.15Å; V290-A292 HydrophobicContact CG1-CB 4.44Å; V290-A292 PolarHBondContact O-N 3.41Å; A292-A314 HydrophobicContact CB-CB 3.62Å | ||
| 293 | A | 88.5 | Confident | 94.7 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 41% | 0.413 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -106.5 | -85.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q217 | Q217-A293 HydrophobicContact CG-CB 4.18Å; Q217-A293 PolarHBondContact O-N 3.16Å |
| 294 | I | 86.2 | Confident | 94.9 | Very high | 105 Ų | 105 | 42.1 Ų | 42.1 | 54% | 0.538 | 23% | 0.229 | S | C | . | . | trans | -126.2 | 172.3 | -171.2 | 58.3 | 169.6 | 0 | 0 | 0 | 111.2 | Q297 | I294-Q297 VanDerWaalsContact CD1-NE2 3.3Å; I294-Q297 VanDerWaalsContact CG1-CD 3.43Å; I294-Q297 HydrophobicContact CG1-CG 3.86Å; I294-Q297 VanDerWaalsContact CG1-NE2 3.34Å; I294-Q297 VanDerWaalsContact O-CG 3.27Å; I294-Q297 WeakPolarHBondContact O-CG 3.23Å | ||
| 295 | S | 87.3 | Confident | 94.9 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -74.5 | 165.9 | 178 | 47.5 | 0 | 0 | 0 | 0 | 113 | Q297 G317 | S295-Q297 VanDerWaalsContact C-N 3.34Å; S295-Q297 PolarHBondContact O-N 2.97Å; S295-Q297 PolarHBondContact O-NE2 2.73Å; S295-G317 CarbonylContact C-O 3.6Å; S295-G317 WeakPolarHBondContact CA-O 3.21Å; S295-G317 VanDerWaalsContact CB-O 3.27Å; S295-G317 WeakPolarHBondContact CB-O 3.27Å |
| 296 | N | 89.6 | Confident | 94.9 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 53.5 | 41.1 | 172.2 | -58.5 | -41.3 | 0 | 0 | 0 | 115.1 | T299 G317 P318 | N296-T299 WeakPolarHBondContact O-CG2 3.29Å; N296-G317 PolarHBondContact N-O 2.69Å; N296-P318 CarbonylContact C-O 3.52Å |
| 297 | Q | 93.2 | Very high | 94.9 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | trans | -91.6 | -28.8 | 179.8 | -59.3 | -59.9 | -73.4 | 0 | 0 | 112.6 | F282 I294 S295 N302 P318 | F282-Q297 HydrophobicContact CE1-CB 4.32Å; F282-Q297 HydrophobicContact CE2-CB 4.05Å; F282-Q297 HydrophobicContact CZ-CB 3.59Å; F282-Q297 HydrophobicContact CZ-CG 4.48Å; I294-Q297 VanDerWaalsContact CD1-NE2 3.3Å; I294-Q297 VanDerWaalsContact CG1-CD 3.43Å; I294-Q297 HydrophobicContact CG1-CG 3.86Å; I294-Q297 VanDerWaalsContact CG1-NE2 3.34Å; I294-Q297 VanDerWaalsContact O-CG 3.27Å; I294-Q297 WeakPolarHBondContact O-CG 3.23Å; S295-Q297 VanDerWaalsContact C-N 3.34Å; S295-Q297 PolarHBondContact O-N 2.97Å; S295-Q297 PolarHBondContact O-NE2 2.73Å; Q297-N302 PolarHBondContact O-ND2 3.32Å; Q297-P318 PolarHBondContact N-O 3.01Å | ||
| 298 | I | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -108 | 106.8 | 170.9 | -48.2 | 178.1 | 0 | 0 | 0 | 107.8 | F282 L289 P291 N302 A303 I306 V311 P318 T319 T320 A323 L327 | F282-I298 HydrophobicContact CD1-CD1 4.28Å; F282-I298 HydrophobicContact CD1-CG1 3.89Å; F282-I298 HydrophobicContact CE1-CD1 4.05Å; F282-I298 HydrophobicContact CE1-CG1 3.65Å; L289-I298 HydrophobicContact CD2-CD1 4.03Å; P291-I298 HydrophobicContact CG-CD1 4.33Å; I298-N302 WeakPolarHBondContact CA-OD1 3.41Å; I298-A303 HydrophobicContact CG2-CB 4.17Å; I298-I306 HydrophobicContact CG2-CG1 4.22Å; I298-V311 HydrophobicContact CD1-CG1 3.97Å; I298-P318 PolarHBondContact N-O 3.15Å; I298-T319 HydrophobicContact CB-CG2 4.01Å; I298-T319 HydrophobicContact CG2-CG2 4.19Å; I298-T319 WeakPolarHBondContact O-CA 3.44Å; I298-T320 PolarHBondContact O-N 3.47Å; I298-T320 PolarHBondContact O-OG1 3.4Å; I298-A323 HydrophobicContact CG2-CB 4Å; I298-A323 VanDerWaalsContact O-CB 3.26Å; I298-A323 WeakPolarHBondContact O-CB 3.24Å; I298-L327 HydrophobicContact CG2-CD1 4.22Å |
| 299 | T | 95.3 | Very high | 94.9 | Very high | 33 Ų | 33 | 45 Ų | 45 | 20% | 0.202 | 24% | 0.242 | C | C | . | . | trans | -118 | 175.8 | -174.9 | 68.3 | 0 | 0 | 0 | 0 | 110.3 | N296 D301 N302 A303 T320 | N296-T299 WeakPolarHBondContact O-CG2 3.29Å; T299-D301 PolarHBondContact O-N 3.13Å; T299-D301 PolarHBondContact OG1-N 2.8Å; T299-N302 PolarHBondContact N-OD1 3.06Å; T299-N302 PolarHBondContact O-N 3.26Å; T299-N302 PolarHBondContact O-OD1 3.01Å; T299-A303 WeakPolarHBondContact O-CB 3.42Å; T299-A303 PolarHBondContact O-N 3.47Å; T299-T320 HydrophobicContact CG2-CG2 4.03Å | ||
| 300 | E | 94.7 | Very high | 94.9 | Very high | 122 Ų | 122 | 45 Ų | 45 | 57% | 0.57 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.8 | 171.9 | 62.2 | -177.9 | 175.5 | 0 | 0 | 112.9 | N302 E322 I326 | E300-N302 PolarHBondContact O-N 3.2Å; E300-E322 HydrophobicContact CB-CB 4.24Å; E300-I326 HydrophobicContact CB-CD1 4.37Å |
| 301 | D | 94.8 | Very high | 94.9 | Very high | 128 Ų | 128 | 45 Ų | 45 | 68% | 0.684 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -26.8 | -177.1 | -59.7 | -45.1 | 0 | 0 | 0 | 114.1 | T299 | T299-D301 PolarHBondContact O-N 3.13Å; T299-D301 PolarHBondContact OG1-N 2.8Å |
| 302 | N | 96.4 | Very high | 94.9 | Very high | 14 Ų | 14 | 45 Ų | 45 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | -9.2 | -175.5 | 70 | 3.3 | 0 | 0 | 0 | 114.3 | Q297 I298 T299 E300 H304 D305 I306 | Q297-N302 PolarHBondContact O-ND2 3.32Å; I298-N302 WeakPolarHBondContact CA-OD1 3.41Å; T299-N302 PolarHBondContact N-OD1 3.06Å; T299-N302 PolarHBondContact O-N 3.26Å; T299-N302 PolarHBondContact O-OD1 3.01Å; E300-N302 PolarHBondContact O-N 3.2Å; N302-H304 PolarHBondContact O-N 2.89Å; N302-H304 VanDerWaalsContact O-N 3.08Å; N302-D305 PolarHBondContact O-N 3.11Å; N302-I306 PolarHBondContact O-N 3Å |
| 303 | A | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | I298 T299 A323 I326 R330 | I298-A303 HydrophobicContact CG2-CB 4.17Å; T299-A303 WeakPolarHBondContact O-CB 3.42Å; T299-A303 PolarHBondContact O-N 3.47Å; A303-A323 HydrophobicContact CB-CB 3.76Å; A303-I326 HydrophobicContact CB-CB 3.98Å; A303-I326 HydrophobicContact CB-CD1 4.05Å; A303-I326 HydrophobicContact CB-CG2 3.78Å; A303-R330 PolarHBondContact O-NH1 2.91Å |
| 304 | H | 97.2 | Very high | 95.4 | Very high | 113 Ų | 113 | 42.3 Ų | 42.3 | 52% | 0.523 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -23.7 | 175.4 | -70.2 | -73.7 | 0 | 0 | 0 | 113.5 | N302 R330 | N302-H304 PolarHBondContact O-N 2.89Å; N302-H304 VanDerWaalsContact O-N 3.08Å; H304-R330 PolarHBondContact O-NH1 3.04Å; H304-R330 VanDerWaalsContact O-NH1 3.1Å; H304-R330 PolarHBondContact O-NH2 3.42Å |
| 305 | D | 96.8 | Very high | 95.6 | Very high | 77 Ų | 77 | 37.8 Ų | 37.8 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -11.6 | -175 | -58.8 | -48.7 | 0 | 0 | 0 | 113 | E283 N302 K307 | E283-D305 HydrophobicContact CG-CB 3.91Å; N302-D305 PolarHBondContact O-N 3.11Å; D305-K307 PolarHBondContact O-N 2.91Å |
| 306 | I | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -59.8 | 122.4 | 173.8 | -56.2 | -54.6 | 0 | 0 | 0 | 109.9 | F282 L289 I298 N302 A308 V311 L327 R330 I332 | F282-I306 HydrophobicContact CB-CD1 3.82Å; F282-I306 HydrophobicContact CD1-CD1 4.07Å; F282-I306 HydrophobicContact CG-CD1 4.43Å; F282-I306 VanDerWaalsContact O-CD1 3.24Å; F282-I306 WeakPolarHBondContact O-CD1 3.33Å; L289-I306 HydrophobicContact CD2-CD1 3.87Å; L289-I306 HydrophobicContact CD2-CG2 3.92Å; I298-I306 HydrophobicContact CG2-CG1 4.22Å; N302-I306 PolarHBondContact O-N 3Å; I306-A308 HydrophobicContact CG2-CB 4.09Å; I306-V311 HydrophobicContact CG2-CG2 4.25Å; I306-L327 HydrophobicContact CB-CD2 4.01Å; I306-L327 HydrophobicContact CG1-CD2 4.1Å; I306-L327 HydrophobicContact CG2-CD2 4.23Å; I306-R330 VanDerWaalsContact O-CZ 3.24Å; I306-R330 PolarHBondContact O-NH1 3.31Å; I306-R330 PolarHBondContact O-NH2 3.2Å; I306-I332 HydrophobicContact CG2-CD1 4.3Å | ||
| 307 | K | 97.2 | Very high | 95.7 | Very high | 123 Ų | 123 | 36.9 Ų | 36.9 | 54% | 0.535 | 19% | 0.192 | S | C | . | . | trans | -95.7 | -17.5 | 178.8 | -66.8 | 171.3 | -173.3 | 146.9 | 0 | 113.8 | E283 D285 D305 | E283-K307 WeakPolarHBondContact O-CE 3.02Å; E283-K307 PolarHBondContact O-NZ 2.92Å; D285-K307 HydrophobicContact CB-CD 4.21Å; D305-K307 PolarHBondContact O-N 2.91Å | ||
| 308 | A | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | trans | -57.7 | 138.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C286 L289 I306 I332 | C286-A308 VanDerWaalsContact O-CA 3.28Å; C286-A308 WeakPolarHBondContact O-CA 3.38Å; L289-A308 HydrophobicContact CB-CB 3.62Å; I306-A308 HydrophobicContact CG2-CB 4.09Å; A308-I332 WeakPolarHBondContact O-CD1 3.42Å; A308-I332 WeakPolarHBondContact O-CG1 3.32Å; A308-I332 WeakPolarHBondContact O-CG2 3.31Å | ||
| 309 | S | 97.8 | Very high | 95.7 | Very high | 43 Ų | 43 | 35.1 Ų | 35.1 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -81.6 | -21.3 | 173 | 71.6 | 0 | 0 | 0 | 0 | 112.7 | M207 D287 L333 | M207-S309 VanDerWaalsContact CE-OG 3.27Å; M207-S309 WeakPolarHBondContact CE-OG 3.35Å; D287-S309 PolarHBondContact O-N 2.87Å; D287-S309 PolarHBondContact O-OG 2.99Å; D287-S309 VanDerWaalsContact O-OG 3.04Å; S309-L333 PolarHBondContact O-N 3.21Å |
| 310 | I | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.3 | 177.9 | -57.4 | 173 | 0 | 0 | 0 | 109 | A201 A202 R205 M207 D287 I288 L289 V312 L333 | A201-I310 HydrophobicContact CB-CD1 4.13Å; A201-I310 HydrophobicContact CB-CG2 3.77Å; A202-I310 HydrophobicContact CB-CD1 4.4Å; R205-I310 HydrophobicContact CB-CD1 4.33Å; R205-I310 HydrophobicContact CG-CD1 4.04Å; R205-I310 HydrophobicContact CG-CG1 4.06Å; M207-I310 HydrophobicContact CE-CD1 4.49Å; M207-I310 HydrophobicContact SD-CD1 4.15Å; D287-I310 PolarHBondContact O-N 3.29Å; D287-I310 VanDerWaalsContact O-N 3.16Å; I288-I310 WeakPolarHBondContact CA-O 3.45Å; I288-I310 HydrophobicContact CG1-CB 4.35Å; I288-I310 HydrophobicContact CG1-CD1 4.44Å; I288-I310 HydrophobicContact CG2-CB 4.46Å; I288-I310 HydrophobicContact CG2-CG2 4.4Å; L289-I310 PolarHBondContact N-O 3.18Å; I310-V312 HydrophobicContact CG2-CG2 3.68Å; I310-L333 WeakPolarHBondContact CA-O 3.25Å; I310-L333 HydrophobicContact CG1-CB 4.41Å |
| 311 | V | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.5 | 170.6 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | L289 P291 I298 I306 L327 I332 L333 L334 V335 | L289-V311 HydrophobicContact CB-CG2 4.35Å; L289-V311 HydrophobicContact CD2-CG2 4.3Å; L289-V311 CarbonylContact O-C 3.57Å; L289-V311 VanDerWaalsContact O-CA 3.31Å; L289-V311 WeakPolarHBondContact O-CA 3.34Å; P291-V311 HydrophobicContact CG-CG1 4.44Å; I298-V311 HydrophobicContact CD1-CG1 3.97Å; I306-V311 HydrophobicContact CG2-CG2 4.25Å; V311-L327 HydrophobicContact CG2-CD1 4.47Å; V311-I332 HydrophobicContact CB-CG2 4.48Å; V311-I332 HydrophobicContact CG2-CG2 3.74Å; V311-L333 PolarHBondContact N-O 3.21Å; V311-L334 CarbonylContact O-C 3.5Å; V311-L334 WeakPolarHBondContact O-CA 3.4Å; V311-V335 PolarHBondContact O-N 2.96Å |
| 312 | V | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 114.8 | 179.9 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | V194 A197 I198 L289 V290 P291 I310 A314 V335 A340 | V194-V312 HydrophobicContact CG1-CG1 3.87Å; A197-V312 HydrophobicContact CB-CG1 4.26Å; I198-V312 HydrophobicContact CG1-CB 3.98Å; I198-V312 HydrophobicContact CG1-CG1 4.11Å; I198-V312 HydrophobicContact CG1-CG2 3.58Å; L289-V312 PolarHBondContact O-N 3.33Å; V290-V312 WeakPolarHBondContact CA-O 3.32Å; V290-V312 WeakPolarHBondContact CG1-O 3.15Å; V290-V312 HydrophobicContact CG2-CB 4.48Å; P291-V312 WeakPolarHBondContact CD-O 3.4Å; I310-V312 HydrophobicContact CG2-CG2 3.68Å; V312-A314 PolarHBondContact O-N 3.42Å; V312-V335 HydrophobicContact CB-CB 4.36Å; V312-V335 HydrophobicContact CG1-CB 4.09Å; V312-V335 HydrophobicContact CG1-CG1 4.39Å; V312-V335 HydrophobicContact CG2-CB 4.1Å; V312-V335 HydrophobicContact CG2-CG2 3.92Å; V312-A340 HydrophobicContact CG1-CB 3.66Å |
| 313 | E | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -84 | 105.3 | -172.2 | -57.9 | -175.5 | 144.6 | 0 | 0 | 112.1 | P291 P318 T319 V335 P336 D337 A340 R393 | P291-E313 HydrophobicContact CG-CG 4.33Å; E313-P318 HydrophobicContact CB-CG 3.69Å; E313-P318 HydrophobicContact CG-CG 3.65Å; E313-T319 WeakPolarHBondContact OE1-CB 3.37Å; E313-T319 PolarHBondContact OE1-OG1 3.36Å; E313-V335 PolarHBondContact N-O 2.73Å; E313-P336 WeakPolarHBondContact OE2-CA 3.45Å; E313-D337 HydrophobicContact CB-CB 3.78Å; E313-D337 WeakPolarHBondContact O-CA 3.38Å; E313-D337 PolarHBondContact OE2-N 2.89Å; E313-A340 WeakPolarHBondContact O-CB 3.32Å; E313-R393 IonicContact OE1-CZ 3.41Å; E313-R393 IonicContact OE1-NH1 3.53Å; E313-R393 IonicContact OE1-NH2 2.69Å; E313-R393 PolarHBondContact OE1-NH2 2.96Å; E313-R393 IonicContact OE2-CZ 3.47Å; E313-R393 IonicContact OE2-NH1 2.67Å; E313-R393 PolarHBondContact OE2-NH1 2.85Å; E313-R393 IonicContact OE2-NH2 3.48Å; E313-R393 PolarHBondContact OE2-NH2 3.16Å; E313-R393 VanDerWaalsContact OE2-NH2 3.07Å | ||
| 314 | A | 95.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | trans | -88.1 | -34.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V194 V290 P291 A292 V312 | V194-A314 HydrophobicContact CG1-CB 4.28Å; V194-A314 HydrophobicContact CG2-CB 3.74Å; V290-A314 HydrophobicContact CG1-CB 3.85Å; P291-A314 PolarHBondContact O-N 3.06Å; A292-A314 HydrophobicContact CB-CB 3.62Å; V312-A314 PolarHBondContact O-N 3.42Å | ||
| 315 | A | 90.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 8% | 0.083 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -78.4 | 162.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P291 P318 D337 | P291-A315 PolarHBondContact O-N 3.37Å; A315-P318 HydrophobicContact CB-CB 4.43Å; A315-P318 VanDerWaalsContact O-CD 3.28Å; A315-P318 WeakPolarHBondContact O-CD 3.11Å; A315-D337 WeakPolarHBondContact O-CB 3.29Å |
| 316 | N | 88.8 | Confident | 95.4 | Very high | 44 Ų | 44 | 27 Ų | 27 | 24% | 0.235 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -86.4 | 133.6 | 173.4 | -50.4 | -72.9 | 0 | 0 | 0 | 110.5 | W90 K94 D337 | W90-N316 HydrophobicContact CE3-CB 3.71Å; W90-N316 HydrophobicContact CH2-CB 4.31Å; W90-N316 HydrophobicContact CZ3-CB 3.36Å; K94-N316 PolarHBondContact NZ-OD1 3.34Å; N316-D337 WeakPolarHBondContact CA-OD2 3.33Å |
| 317 | G | 89.5 | Confident | 95.4 | Very high | 9 Ų | 9 | 27 Ų | 27 | 9% | 0.093 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 55.9 | 38.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S295 N296 T319 D337 | S295-G317 CarbonylContact C-O 3.6Å; S295-G317 WeakPolarHBondContact CA-O 3.21Å; S295-G317 VanDerWaalsContact CB-O 3.27Å; S295-G317 WeakPolarHBondContact CB-O 3.27Å; N296-G317 PolarHBondContact N-O 2.69Å; G317-T319 PolarHBondContact O-N 3.24Å; G317-D337 PolarHBondContact N-OD2 3.28Å |
| 318 | P | 93.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -72.2 | -19.1 | -179.5 | 31.3 | -35 | 0 | 0 | 0 | 112.9 | P291 N296 Q297 I298 E313 A315 | P291-P318 HydrophobicContact CB-CB 3.57Å; P291-P318 HydrophobicContact CB-CG 4.02Å; P291-P318 HydrophobicContact CG-CB 3.8Å; P291-P318 HydrophobicContact CG-CG 3.71Å; N296-P318 CarbonylContact C-O 3.52Å; Q297-P318 PolarHBondContact N-O 3.01Å; I298-P318 PolarHBondContact N-O 3.15Å; E313-P318 HydrophobicContact CB-CG 3.69Å; E313-P318 HydrophobicContact CG-CG 3.65Å; A315-P318 HydrophobicContact CB-CB 4.43Å; A315-P318 VanDerWaalsContact O-CD 3.28Å; A315-P318 WeakPolarHBondContact O-CD 3.11Å | ||
| 319 | T | 95.2 | Very high | 95.3 | Very high | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -118.4 | 129.8 | -177.8 | -47.8 | 0 | 0 | 0 | 0 | 110.6 | I298 E313 G317 A323 L327 L334 | I298-T319 HydrophobicContact CB-CG2 4.01Å; I298-T319 HydrophobicContact CG2-CG2 4.19Å; I298-T319 WeakPolarHBondContact O-CA 3.44Å; E313-T319 WeakPolarHBondContact OE1-CB 3.37Å; E313-T319 PolarHBondContact OE1-OG1 3.36Å; G317-T319 PolarHBondContact O-N 3.24Å; T319-A323 HydrophobicContact CG2-CB 3.5Å; T319-A323 VanDerWaalsContact CG2-CB 3.5Å; T319-L327 HydrophobicContact CG2-CD1 4.07Å; T319-L334 HydrophobicContact CG2-CD1 4.07Å |
| 320 | T | 93.2 | Very high | 95.3 | Very high | 17 Ų | 17 | 33 Ų | 33 | 10% | 0.104 | 16% | 0.162 | C | C | . | . | trans | -68 | 160.5 | 175.1 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | I298 T299 E322 A323 T324 | I298-T320 PolarHBondContact O-N 3.47Å; I298-T320 PolarHBondContact O-OG1 3.4Å; T299-T320 HydrophobicContact CG2-CG2 4.03Å; T320-E322 VanDerWaalsContact C-N 3.3Å; T320-E322 PolarHBondContact O-N 2.62Å; T320-A323 PolarHBondContact O-N 2.9Å; T320-A323 WeakPolarHBondContact OG1-CB 3.48Å; T320-A323 PolarHBondContact OG1-N 2.87Å; T320-A323 VanDerWaalsContact OG1-N 3.17Å; T320-T324 PolarHBondContact O-N 2.88Å; T320-T324 PolarHBondContact O-OG1 3.43Å | ||
| 321 | P | 92.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 34% | 0.338 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -55.7 | -43.2 | 172.5 | -26.6 | 36.6 | 0 | 0 | 0 | 113 | S10 T324 R325 | S10-P321 WeakPolarHBondContact OG-CG 3.42Å; P321-T324 WeakPolarHBondContact O-CB 3.46Å; P321-T324 PolarHBondContact O-N 3.45Å; P321-R325 PolarHBondContact O-N 3.47Å |
| 322 | E | 93.8 | Very high | 95.2 | Very high | 97 Ų | 97 | 35.8 Ų | 35.8 | 45% | 0.453 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 178.7 | -70.2 | 65.9 | -147.6 | 0 | 0 | 111.1 | E300 T320 T324 R325 I326 | E300-E322 HydrophobicContact CB-CB 4.24Å; T320-E322 VanDerWaalsContact C-N 3.3Å; T320-E322 PolarHBondContact O-N 2.62Å; E322-T324 VanDerWaalsContact C-N 3.34Å; E322-T324 PolarHBondContact O-N 3.18Å; E322-R325 WeakPolarHBondContact O-CB 3.42Å; E322-R325 PolarHBondContact O-N 2.82Å; E322-I326 WeakPolarHBondContact O-CG1 3.44Å; E322-I326 PolarHBondContact O-N 3.05Å |
| 323 | A | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | I298 A303 T319 T320 R325 I326 L327 | I298-A323 HydrophobicContact CG2-CB 4Å; I298-A323 VanDerWaalsContact O-CB 3.26Å; I298-A323 WeakPolarHBondContact O-CB 3.24Å; A303-A323 HydrophobicContact CB-CB 3.76Å; T319-A323 HydrophobicContact CG2-CB 3.5Å; T319-A323 VanDerWaalsContact CG2-CB 3.5Å; T320-A323 PolarHBondContact O-N 2.9Å; T320-A323 WeakPolarHBondContact OG1-CB 3.48Å; T320-A323 PolarHBondContact OG1-N 2.87Å; T320-A323 VanDerWaalsContact OG1-N 3.17Å; A323-R325 VanDerWaalsContact C-N 3.28Å; A323-R325 PolarHBondContact O-N 3.34Å; A323-I326 PolarHBondContact O-N 3.05Å; A323-L327 WeakPolarHBondContact O-CB 3.49Å; A323-L327 VanDerWaalsContact O-CG 3.24Å; A323-L327 WeakPolarHBondContact O-CG 3.44Å; A323-L327 PolarHBondContact O-N 2.84Å |
| 324 | T | 96.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 175.9 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | T320 P321 E322 T328 L334 R393 | T320-T324 PolarHBondContact O-N 2.88Å; T320-T324 PolarHBondContact O-OG1 3.43Å; P321-T324 WeakPolarHBondContact O-CB 3.46Å; P321-T324 PolarHBondContact O-N 3.45Å; E322-T324 VanDerWaalsContact C-N 3.34Å; E322-T324 PolarHBondContact O-N 3.18Å; T324-T328 WeakPolarHBondContact O-CB 3.39Å; T324-T328 PolarHBondContact O-N 3.17Å; T324-T328 PolarHBondContact O-OG1 3.42Å; T324-L334 HydrophobicContact CG2-CD1 4.48Å; T324-R393 HydrophobicContact CG2-CB 4.28Å; T324-R393 PolarHBondContact OG1-NE 3.44Å; T324-R393 PolarHBondContact OG1-NH2 2.94Å |
| 325 | R | 96.2 | Very high | 95.3 | Very high | 135 Ų | 135 | 36 Ų | 36 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.8 | -49.7 | 174.7 | -173.5 | -175.9 | 66.9 | 82.1 | 3.7 | 111.6 | P321 E322 A323 L327 T328 E329 | P321-R325 PolarHBondContact O-N 3.47Å; E322-R325 WeakPolarHBondContact O-CB 3.42Å; E322-R325 PolarHBondContact O-N 2.82Å; A323-R325 VanDerWaalsContact C-N 3.28Å; A323-R325 PolarHBondContact O-N 3.34Å; R325-L327 PolarHBondContact O-N 3.46Å; R325-T328 PolarHBondContact O-N 2.85Å; R325-E329 HydrophobicContact CG-CG 4.48Å; R325-E329 WeakPolarHBondContact CG-OE1 3.27Å; R325-E329 IonicContact CZ-OE1 3.69Å; R325-E329 IonicContact CZ-OE2 3.97Å; R325-E329 IonicContact NH1-OE1 2.68Å; R325-E329 PolarHBondContact NH1-OE1 3.09Å; R325-E329 IonicContact NH1-OE2 2.98Å; R325-E329 PolarHBondContact NH1-OE2 3.26Å; R325-E329 WeakPolarHBondContact O-CG 3.14Å; R325-E329 PolarHBondContact O-N 3.03Å |
| 326 | I | 97.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 5% | 0.046 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.9 | -49.2 | 179.9 | -68.4 | 161.1 | 0 | 0 | 0 | 111.1 | E300 A303 E322 A323 T328 E329 R330 | E300-I326 HydrophobicContact CB-CD1 4.37Å; A303-I326 HydrophobicContact CB-CB 3.98Å; A303-I326 HydrophobicContact CB-CD1 4.05Å; A303-I326 HydrophobicContact CB-CG2 3.78Å; E322-I326 WeakPolarHBondContact O-CG1 3.44Å; E322-I326 PolarHBondContact O-N 3.05Å; A323-I326 PolarHBondContact O-N 3.05Å; I326-T328 VanDerWaalsContact C-N 3.33Å; I326-T328 PolarHBondContact O-N 3.33Å; I326-E329 PolarHBondContact O-N 3.11Å; I326-R330 WeakPolarHBondContact O-CB 3.28Å; I326-R330 VanDerWaalsContact O-CG 3.25Å; I326-R330 WeakPolarHBondContact O-CG 3.47Å; I326-R330 PolarHBondContact O-N 3.49Å |
| 327 | L | 98 | Very high | 96 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 179.4 | -65.7 | 175.3 | 0 | 0 | 0 | 111.5 | I298 I306 V311 T319 A323 R325 R330 G331 I332 L334 | I298-L327 HydrophobicContact CG2-CD1 4.22Å; I306-L327 HydrophobicContact CB-CD2 4.01Å; I306-L327 HydrophobicContact CG1-CD2 4.1Å; I306-L327 HydrophobicContact CG2-CD2 4.23Å; V311-L327 HydrophobicContact CG2-CD1 4.47Å; T319-L327 HydrophobicContact CG2-CD1 4.07Å; A323-L327 WeakPolarHBondContact O-CB 3.49Å; A323-L327 VanDerWaalsContact O-CG 3.24Å; A323-L327 WeakPolarHBondContact O-CG 3.44Å; A323-L327 PolarHBondContact O-N 2.84Å; R325-L327 PolarHBondContact O-N 3.46Å; L327-R330 PolarHBondContact O-N 3.41Å; L327-G331 PolarHBondContact O-N 2.59Å; L327-I332 HydrophobicContact CB-CB 4.27Å; L327-I332 HydrophobicContact CD2-CD1 3.59Å; L327-I332 WeakPolarHBondContact O-CB 3.48Å; L327-I332 PolarHBondContact O-N 3.47Å; L327-L334 HydrophobicContact CD1-CD1 3.82Å |
| 328 | T | 96.8 | Very high | 96.3 | Very high | 57 Ų | 57 | 33 Ų | 33 | 35% | 0.35 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 178 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | T324 R325 I326 R330 G331 D391 | T324-T328 WeakPolarHBondContact O-CB 3.39Å; T324-T328 PolarHBondContact O-N 3.17Å; T324-T328 PolarHBondContact O-OG1 3.42Å; R325-T328 PolarHBondContact O-N 2.85Å; I326-T328 VanDerWaalsContact C-N 3.33Å; I326-T328 PolarHBondContact O-N 3.33Å; T328-R330 VanDerWaalsContact C-N 3.27Å; T328-R330 PolarHBondContact O-N 3.05Å; T328-G331 PolarHBondContact O-N 3.15Å; T328-D391 HydrophobicContact CG2-CB 4.03Å |
| 329 | E | 97 | Very high | 96.6 | Very high | 132 Ų | 132 | 33.2 Ų | 33.2 | 62% | 0.617 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -62.7 | -34.1 | 176.8 | -75.2 | 172.6 | -174.3 | 0 | 0 | 112.4 | R325 I326 G331 | R325-E329 HydrophobicContact CG-CG 4.48Å; R325-E329 WeakPolarHBondContact CG-OE1 3.27Å; R325-E329 IonicContact CZ-OE1 3.69Å; R325-E329 IonicContact CZ-OE2 3.97Å; R325-E329 IonicContact NH1-OE1 2.68Å; R325-E329 PolarHBondContact NH1-OE1 3.09Å; R325-E329 IonicContact NH1-OE2 2.98Å; R325-E329 PolarHBondContact NH1-OE2 3.26Å; R325-E329 WeakPolarHBondContact O-CG 3.14Å; R325-E329 PolarHBondContact O-N 3.03Å; I326-E329 PolarHBondContact O-N 3.11Å; E329-G331 PolarHBondContact O-N 3.5Å |
| 330 | R | 97.4 | Very high | 96.7 | Very high | 105 Ų | 105 | 32.8 Ų | 32.8 | 40% | 0.396 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -1.8 | 173.6 | -67.4 | 176.8 | 69.9 | -145.3 | -6.9 | 113.5 | A303 H304 I306 I326 L327 T328 I332 | A303-R330 PolarHBondContact O-NH1 2.91Å; H304-R330 PolarHBondContact O-NH1 3.04Å; H304-R330 VanDerWaalsContact O-NH1 3.1Å; H304-R330 PolarHBondContact O-NH2 3.42Å; I306-R330 VanDerWaalsContact O-CZ 3.24Å; I306-R330 PolarHBondContact O-NH1 3.31Å; I306-R330 PolarHBondContact O-NH2 3.2Å; I326-R330 WeakPolarHBondContact O-CB 3.28Å; I326-R330 VanDerWaalsContact O-CG 3.25Å; I326-R330 WeakPolarHBondContact O-CG 3.47Å; I326-R330 PolarHBondContact O-N 3.49Å; L327-R330 PolarHBondContact O-N 3.41Å; T328-R330 VanDerWaalsContact C-N 3.27Å; T328-R330 PolarHBondContact O-N 3.05Å; R330-I332 VanDerWaalsContact C-N 3.31Å; R330-I332 HydrophobicContact CB-CD1 4.31Å; R330-I332 HydrophobicContact CB-CG1 4.33Å; R330-I332 PolarHBondContact O-N 3.34Å |
| 331 | G | 96.5 | Very high | 96.7 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 45% | 0.454 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 16.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | R205 L327 T328 E329 | R205-G331 PolarHBondContact NH2-O 2.84Å; L327-G331 PolarHBondContact O-N 2.59Å; T328-G331 PolarHBondContact O-N 3.15Å; E329-G331 PolarHBondContact O-N 3.5Å |
| 332 | I | 97.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 30 Ų | 30 | 8% | 0.077 | 15% | 0.148 | C | C | . | . | trans | -75.8 | 130.2 | 175.7 | -63.3 | 172.9 | 0 | 0 | 0 | 108.7 | I306 A308 V311 L327 R330 L334 | I306-I332 HydrophobicContact CG2-CD1 4.3Å; A308-I332 WeakPolarHBondContact O-CD1 3.42Å; A308-I332 WeakPolarHBondContact O-CG1 3.32Å; A308-I332 WeakPolarHBondContact O-CG2 3.31Å; V311-I332 HydrophobicContact CB-CG2 4.48Å; V311-I332 HydrophobicContact CG2-CG2 3.74Å; L327-I332 HydrophobicContact CB-CB 4.27Å; L327-I332 HydrophobicContact CD2-CD1 3.59Å; L327-I332 WeakPolarHBondContact O-CB 3.48Å; L327-I332 PolarHBondContact O-N 3.47Å; R330-I332 VanDerWaalsContact C-N 3.31Å; R330-I332 HydrophobicContact CB-CD1 4.31Å; R330-I332 HydrophobicContact CB-CG1 4.33Å; R330-I332 PolarHBondContact O-N 3.34Å; I332-L334 PolarHBondContact O-N 3.24Å | ||
| 333 | L | 98.3 | Very high | 97 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 102.1 | 176.7 | 178.5 | 56 | 0 | 0 | 0 | 110 | A201 R204 R205 S309 I310 V311 Y382 M392 | A201-L333 HydrophobicContact CB-CD2 3.79Å; R204-L333 HydrophobicContact CB-CD2 4.42Å; R205-L333 HydrophobicContact CG-CD2 4.24Å; S309-L333 PolarHBondContact O-N 3.21Å; I310-L333 WeakPolarHBondContact CA-O 3.25Å; I310-L333 HydrophobicContact CG1-CB 4.41Å; V311-L333 PolarHBondContact N-O 3.21Å; L333-Y382 HydrophobicContact CD1-CD2 4.29Å; L333-Y382 HydrophobicContact CD1-CE2 3.98Å; L333-Y382 HydrophobicContact CD2-CE2 4.25Å; L333-M392 HydrophobicContact CD1-CG 3.96Å |
| 334 | L | 98.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.7 | 172.8 | -172.8 | 149.2 | 0 | 0 | 0 | 110.5 | V311 T319 T324 L327 I332 P336 M392 | V311-L334 CarbonylContact O-C 3.5Å; V311-L334 WeakPolarHBondContact O-CA 3.4Å; T319-L334 HydrophobicContact CG2-CD1 4.07Å; T324-L334 HydrophobicContact CG2-CD1 4.48Å; L327-L334 HydrophobicContact CD1-CD1 3.82Å; I332-L334 PolarHBondContact O-N 3.24Å; L334-P336 HydrophobicContact CD2-CB 4.2Å; L334-M392 WeakPolarHBondContact O-CB 3.33Å; L334-M392 WeakPolarHBondContact O-CG 3.24Å |
| 335 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 111.8 | 170.9 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | A197 A201 V311 V312 E313 L339 A340 F378 | A197-V335 HydrophobicContact CB-CG1 4.16Å; A201-V335 HydrophobicContact CB-CG2 3.86Å; V311-V335 PolarHBondContact O-N 2.96Å; V312-V335 HydrophobicContact CB-CB 4.36Å; V312-V335 HydrophobicContact CG1-CB 4.09Å; V312-V335 HydrophobicContact CG1-CG1 4.39Å; V312-V335 HydrophobicContact CG2-CB 4.1Å; V312-V335 HydrophobicContact CG2-CG2 3.92Å; E313-V335 PolarHBondContact N-O 2.73Å; V335-L339 HydrophobicContact CG1-CD2 3.93Å; V335-L339 HydrophobicContact CG1-CG 4.29Å; V335-A340 HydrophobicContact CG1-CB 4.16Å; V335-F378 HydrophobicContact CG1-CD2 4.35Å; V335-F378 HydrophobicContact CG1-CE2 4.02Å; V335-F378 HydrophobicContact CG2-CE2 3.84Å; V335-F378 HydrophobicContact CG2-CZ 4.44Å |
| 336 | P | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -71.5 | 150.6 | -169.6 | 29.2 | -36.5 | 0 | 0 | 0 | 112.5 | E313 L334 V338 L339 A340 R393 A396 | E313-P336 WeakPolarHBondContact OE2-CA 3.45Å; L334-P336 HydrophobicContact CD2-CB 4.2Å; P336-V338 VanDerWaalsContact C-N 3.31Å; P336-V338 HydrophobicContact CB-CG2 4.24Å; P336-V338 HydrophobicContact CG-CG2 4.44Å; P336-V338 PolarHBondContact O-N 3.07Å; P336-L339 HydrophobicContact CG-CB 4.28Å; P336-L339 WeakPolarHBondContact O-CB 3.25Å; P336-L339 PolarHBondContact O-N 2.87Å; P336-A340 PolarHBondContact O-N 3.48Å; P336-R393 HydrophobicContact CB-CB 4.16Å; P336-R393 HydrophobicContact CB-CG 4.23Å; P336-A396 HydrophobicContact CG-CB 3.63Å | ||
| 337 | D | 96.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.1 | -40.8 | -178.8 | 61.6 | -14.6 | 0 | 0 | 0 | 114.6 | E313 A315 N316 G317 L339 A340 S341 R393 | E313-D337 HydrophobicContact CB-CB 3.78Å; E313-D337 WeakPolarHBondContact O-CA 3.38Å; E313-D337 PolarHBondContact OE2-N 2.89Å; A315-D337 WeakPolarHBondContact O-CB 3.29Å; N316-D337 WeakPolarHBondContact CA-OD2 3.33Å; G317-D337 PolarHBondContact N-OD2 3.28Å; D337-L339 PolarHBondContact O-N 2.85Å; D337-A340 PolarHBondContact O-N 2.91Å; D337-S341 WeakPolarHBondContact O-CB 3.43Å; D337-S341 PolarHBondContact O-N 3.02Å; D337-S341 PolarHBondContact O-OG 2.96Å; D337-R393 IonicContact OD1-NH1 2.82Å |
| 338 | V | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.7 | -18.8 | 176.7 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | W90 L93 K94 I97 P336 A396 Y397 | W90-V338 HydrophobicContact CB-CG1 4.29Å; W90-V338 HydrophobicContact CG-CG1 4.44Å; L93-V338 HydrophobicContact CB-CB 4.5Å; L93-V338 HydrophobicContact CB-CG1 4.24Å; L93-V338 HydrophobicContact CD1-CG1 4.34Å; K94-V338 HydrophobicContact CG-CB 4.14Å; K94-V338 HydrophobicContact CG-CG1 4.37Å; K94-V338 WeakPolarHBondContact CG-O 3.5Å; I97-V338 HydrophobicContact CD1-CB 3.71Å; I97-V338 HydrophobicContact CD1-CG2 3.57Å; I97-V338 WeakPolarHBondContact CD1-O 3.46Å; P336-V338 VanDerWaalsContact C-N 3.31Å; P336-V338 HydrophobicContact CB-CG2 4.24Å; P336-V338 HydrophobicContact CG-CG2 4.44Å; P336-V338 PolarHBondContact O-N 3.07Å; V338-A396 HydrophobicContact CG2-CB 3.88Å; V338-Y397 HydrophobicContact CG1-CE2 4.37Å; V338-Y397 HydrophobicContact CG2-CD2 4.3Å; V338-Y397 HydrophobicContact CG2-CE2 4.09Å |
| 339 | L | 98 | Very high | 97 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -98.1 | -56 | 171 | 170.7 | 59.3 | 0 | 0 | 0 | 110.9 | I97 V335 P336 D337 S341 A342 A377 F378 I381 | I97-L339 HydrophobicContact CG2-CB 4.49Å; I97-L339 HydrophobicContact CG2-CD1 3.86Å; V335-L339 HydrophobicContact CG1-CD2 3.93Å; V335-L339 HydrophobicContact CG1-CG 4.29Å; P336-L339 HydrophobicContact CG-CB 4.28Å; P336-L339 WeakPolarHBondContact O-CB 3.25Å; P336-L339 PolarHBondContact O-N 2.87Å; D337-L339 PolarHBondContact O-N 2.85Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.25Å; L339-A342 WeakPolarHBondContact O-CB 3.09Å; L339-A342 PolarHBondContact O-N 2.88Å; L339-A342 VanDerWaalsContact O-N 3.09Å; L339-A377 HydrophobicContact CD1-CB 3.93Å; L339-F378 HydrophobicContact CD2-CB 4.29Å; L339-F378 HydrophobicContact CD2-CD2 3.82Å; L339-F378 HydrophobicContact CD2-CG 4.32Å; L339-I381 HydrophobicContact CB-CD1 4.2Å; L339-I381 HydrophobicContact CD1-CD1 4.12Å; L339-I381 HydrophobicContact CD2-CD1 3.91Å; L339-I381 HydrophobicContact CG-CD1 4.3Å |
| 340 | A | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62 | -37.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G193 V194 A197 V312 E313 V335 P336 D337 A342 | G193-A340 CarbonylContact C-O 3.25Å; V194-A340 HydrophobicContact CG2-CB 4.47Å; V194-A340 WeakPolarHBondContact CG2-O 3.35Å; V194-A340 PolarHBondContact N-O 3.39Å; A197-A340 HydrophobicContact CB-CB 4.28Å; V312-A340 HydrophobicContact CG1-CB 3.66Å; E313-A340 WeakPolarHBondContact O-CB 3.32Å; V335-A340 HydrophobicContact CG1-CB 4.16Å; P336-A340 PolarHBondContact O-N 3.48Å; D337-A340 PolarHBondContact O-N 2.91Å; A340-A342 VanDerWaalsContact C-N 3.35Å |
| 341 | S | 94.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 8 Ų | 8 | 7% | 0.07 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.9 | 179.3 | 71.9 | 0 | 0 | 0 | 0 | 114.2 | K94 D337 L339 G343 | K94-S341 VanDerWaalsContact CE-OG 3.29Å; K94-S341 WeakPolarHBondContact CE-OG 3.38Å; K94-S341 PolarHBondContact NZ-OG 2.89Å; D337-S341 WeakPolarHBondContact O-CB 3.43Å; D337-S341 PolarHBondContact O-N 3.02Å; D337-S341 PolarHBondContact O-OG 2.96Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.25Å; S341-G343 PolarHBondContact O-N 3.47Å |
| 342 | A | 96.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V98 L339 A340 G344 V345 T346 L374 | V98-A342 HydrophobicContact CG1-CB 3.74Å; V98-A342 HydrophobicContact CG2-CB 4.38Å; L339-A342 WeakPolarHBondContact O-CB 3.09Å; L339-A342 PolarHBondContact O-N 2.88Å; L339-A342 VanDerWaalsContact O-N 3.09Å; A340-A342 VanDerWaalsContact C-N 3.35Å; A342-G344 VanDerWaalsContact C-N 3.28Å; A342-G344 PolarHBondContact O-N 3.22Å; A342-V345 HydrophobicContact CB-CG1 4.36Å; A342-V345 WeakPolarHBondContact O-CG1 3.41Å; A342-V345 PolarHBondContact O-N 3.01Å; A342-T346 PolarHBondContact O-N 2.76Å; A342-T346 PolarHBondContact O-OG1 3.04Å; A342-T346 VanDerWaalsContact O-OG1 3.06Å; A342-L374 HydrophobicContact CB-CD2 3.95Å |
| 343 | G | 95.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -57.8 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S341 V345 T346 V347 | S341-G343 PolarHBondContact O-N 3.47Å; G343-V345 PolarHBondContact O-N 3.16Å; G343-T346 PolarHBondContact O-N 3.36Å; G343-V347 PolarHBondContact O-N 2.91Å |
| 344 | G | 93.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 7 Ų | 7 | 7% | 0.072 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -64.9 | -38.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | S189 A342 S348 | S189-G344 WeakPolarHBondContact OG-CA 3.43Å; A342-G344 VanDerWaalsContact C-N 3.28Å; A342-G344 PolarHBondContact O-N 3.22Å; G344-S348 WeakPolarHBondContact O-CB 3.47Å; G344-S348 PolarHBondContact O-N 3.42Å; G344-S348 VanDerWaalsContact O-N 3.13Å; G344-S348 PolarHBondContact O-OG 3.05Å |
| 345 | V | 96.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 7.6 Ų | 7.6 | 7% | 0.067 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -76.4 | -33.6 | 176.2 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | K70 M91 K94 V98 L100 A342 G343 S348 Y349 | K70-V345 HydrophobicContact CG-CG2 4.17Å; M91-V345 HydrophobicContact CE-CB 4Å; M91-V345 HydrophobicContact CE-CG2 3.55Å; K94-V345 HydrophobicContact CB-CG1 4.15Å; V98-V345 HydrophobicContact CG2-CG1 4.31Å; L100-V345 HydrophobicContact CD1-CB 4.5Å; L100-V345 HydrophobicContact CD1-CG1 4.14Å; L100-V345 HydrophobicContact CD1-CG2 3.89Å; A342-V345 HydrophobicContact CB-CG1 4.36Å; A342-V345 WeakPolarHBondContact O-CG1 3.41Å; A342-V345 PolarHBondContact O-N 3.01Å; G343-V345 PolarHBondContact O-N 3.16Å; V345-S348 WeakPolarHBondContact O-CB 3.49Å; V345-S348 PolarHBondContact O-N 2.97Å; V345-Y349 PolarHBondContact O-N 3.35Å |
| 346 | T | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.3 | -49.1 | 175.9 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | A342 G343 S348 Y349 F350 L370 K373 | A342-T346 PolarHBondContact O-N 2.76Å; A342-T346 PolarHBondContact O-OG1 3.04Å; A342-T346 VanDerWaalsContact O-OG1 3.06Å; G343-T346 PolarHBondContact O-N 3.36Å; T346-S348 VanDerWaalsContact C-N 3.32Å; T346-S348 PolarHBondContact O-N 2.92Å; T346-Y349 WeakPolarHBondContact O-CB 3.18Å; T346-Y349 PolarHBondContact O-N 2.87Å; T346-Y349 VanDerWaalsContact O-N 3.12Å; T346-F350 HydrophobicContact CG2-CE1 4.14Å; T346-F350 HydrophobicContact CG2-CE2 3.75Å; T346-F350 HydrophobicContact CG2-CZ 3.51Å; T346-F350 WeakPolarHBondContact O-CG 3.43Å; T346-F350 PolarHBondContact O-N 3.33Å; T346-L370 HydrophobicContact CG2-CD1 3.74Å; T346-K373 HydrophobicContact CG2-CB 4.25Å; T346-K373 HydrophobicContact CG2-CD 3.66Å |
| 347 | V | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.8 | -31.7 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | R186 S189 G343 Y349 F350 E351 V366 L370 | R186-V347 HydrophobicContact CB-CG1 4.32Å; S189-V347 VanDerWaalsContact CB-CG2 3.45Å; G343-V347 PolarHBondContact O-N 2.91Å; V347-Y349 VanDerWaalsContact C-N 3.28Å; V347-Y349 PolarHBondContact O-N 3.38Å; V347-F350 HydrophobicContact CG2-CD2 4.28Å; V347-F350 PolarHBondContact O-N 3.02Å; V347-E351 PolarHBondContact O-N 3.02Å; V347-V366 HydrophobicContact CG1-CG1 4.01Å; V347-V366 HydrophobicContact CG2-CG1 4.02Å; V347-L370 HydrophobicContact CG2-CB 4.49Å; V347-L370 HydrophobicContact CG2-CD1 4.12Å; V347-L370 HydrophobicContact CG2-CD2 3.95Å; V347-L370 HydrophobicContact CG2-CG 4.42Å |
| 348 | S | 97.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61 | -37.8 | 169.4 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | T174 R186 G344 V345 T346 E351 W352 | T174-S348 VanDerWaalsContact CG2-O 3.24Å; T174-S348 WeakPolarHBondContact CG2-O 3.41Å; T174-S348 VanDerWaalsContact OG1-CB 3.31Å; T174-S348 WeakPolarHBondContact OG1-CB 3.34Å; T174-S348 PolarHBondContact OG1-OG 3.04Å; R186-S348 VanDerWaalsContact CZ-OG 3.26Å; R186-S348 PolarHBondContact NE-OG 3.38Å; R186-S348 PolarHBondContact NH2-OG 2.88Å; G344-S348 WeakPolarHBondContact O-CB 3.47Å; G344-S348 PolarHBondContact O-N 3.42Å; G344-S348 VanDerWaalsContact O-N 3.13Å; G344-S348 PolarHBondContact O-OG 3.05Å; V345-S348 WeakPolarHBondContact O-CB 3.49Å; V345-S348 PolarHBondContact O-N 2.97Å; T346-S348 VanDerWaalsContact C-N 3.32Å; T346-S348 PolarHBondContact O-N 2.92Å; S348-E351 WeakPolarHBondContact O-CB 3.47Å; S348-E351 PolarHBondContact O-N 3.08Å; S348-W352 PolarHBondContact O-N 3.44Å; S348-W352 VanDerWaalsContact O-N 3.08Å |
| 349 | Y | 98.3 | Very high | 97.2 | Very high | 51 Ų | 51 | 27.1 Ų | 27.1 | 20% | 0.2 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 173.6 | 163.2 | -107.2 | 0 | 0 | 0 | 111.3 | L100 P101 Y102 V345 T346 V347 E351 W352 V353 | L100-Y349 HydrophobicContact CD2-CD1 3.54Å; L100-Y349 HydrophobicContact CD2-CE1 4.14Å; L100-Y349 HydrophobicContact CD2-CG 3.74Å; P101-Y349 HydrophobicContact CG-CD2 4.21Å; P101-Y349 HydrophobicContact CG-CE2 3.48Å; P101-Y349 VanDerWaalsContact CG-CE2 3.48Å; Y102-Y349 HydrophobicContact CD2-CD2 4.49Å; Y102-Y349 AromaticContact CE2-CD2 3.8Å; Y102-Y349 HydrophobicContact CE2-CD2 3.8Å; Y102-Y349 HydrophobicContact CE2-CG 4.31Å; Y102-Y349 AromaticContact CZ-CD2 4Å; V345-Y349 PolarHBondContact O-N 3.35Å; T346-Y349 WeakPolarHBondContact O-CB 3.18Å; T346-Y349 PolarHBondContact O-N 2.87Å; T346-Y349 VanDerWaalsContact O-N 3.12Å; V347-Y349 VanDerWaalsContact C-N 3.28Å; V347-Y349 PolarHBondContact O-N 3.38Å; Y349-E351 VanDerWaalsContact C-N 3.29Å; Y349-E351 PolarHBondContact O-N 3.07Å; Y349-W352 HydrophobicContact CD2-CE3 4.27Å; Y349-W352 HydrophobicContact CE2-CE3 4.23Å; Y349-W352 HydrophobicContact CE2-CZ3 4.39Å; Y349-W352 WeakPolarHBondContact O-CB 3.24Å; Y349-W352 PolarHBondContact O-N 3.12Å; Y349-V353 HydrophobicContact CD1-CG2 4.34Å; Y349-V353 HydrophobicContact CD2-CG2 3.97Å; Y349-V353 HydrophobicContact CE1-CG2 3.84Å; Y349-V353 HydrophobicContact CE2-CG2 3.41Å; Y349-V353 VanDerWaalsContact CE2-CG2 3.41Å; Y349-V353 HydrophobicContact CG-CG2 4.41Å; Y349-V353 WeakPolarHBondContact O-CG2 3.01Å; Y349-V353 PolarHBondContact O-N 2.96Å |
| 350 | F | 98.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 2% | 0.022 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 175.1 | -58.7 | -27.1 | 0 | 0 | 0 | 112.1 | T346 V347 W352 V353 Q354 W361 V366 K369 L370 K373 | T346-F350 HydrophobicContact CG2-CE1 4.14Å; T346-F350 HydrophobicContact CG2-CE2 3.75Å; T346-F350 HydrophobicContact CG2-CZ 3.51Å; T346-F350 WeakPolarHBondContact O-CG 3.43Å; T346-F350 PolarHBondContact O-N 3.33Å; V347-F350 HydrophobicContact CG2-CD2 4.28Å; V347-F350 PolarHBondContact O-N 3.02Å; F350-W352 VanDerWaalsContact C-N 3.32Å; F350-W352 PolarHBondContact O-N 3.03Å; F350-V353 PolarHBondContact O-N 2.53Å; F350-Q354 VanDerWaalsContact C-NE2 3.28Å; F350-Q354 WeakPolarHBondContact O-CB 3.41Å; F350-Q354 VanDerWaalsContact O-CG 3.26Å; F350-Q354 WeakPolarHBondContact O-CG 3.47Å; F350-Q354 PolarHBondContact O-N 2.84Å; F350-Q354 PolarHBondContact O-NE2 3.15Å; F350-W361 HydrophobicContact CB-CE3 4.22Å; F350-W361 HydrophobicContact CB-CH2 4.44Å; F350-W361 HydrophobicContact CB-CZ3 3.65Å; F350-W361 HydrophobicContact CD1-CH2 4.25Å; F350-W361 AromaticContact CD1-CZ3 3.76Å; F350-W361 HydrophobicContact CD1-CZ3 3.76Å; F350-W361 HydrophobicContact CD2-CZ3 4.37Å; F350-W361 HydrophobicContact CE1-CZ3 4.5Å; F350-W361 HydrophobicContact CG-CE3 4.48Å; F350-W361 AromaticContact CG-CZ3 3.69Å; F350-W361 HydrophobicContact CG-CZ3 3.69Å; F350-V366 HydrophobicContact CD2-CG1 4.18Å; F350-K369 HydrophobicContact CE1-CB 4.23Å; F350-K369 HydrophobicContact CE2-CB 3.8Å; F350-K369 HydrophobicContact CZ-CB 3.52Å; F350-L370 HydrophobicContact CE2-CB 4.18Å; F350-K373 HydrophobicContact CE1-CD 4.01Å; F350-K373 HydrophobicContact CZ-CD 3.92Å |
| 351 | E | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.4 | -45.4 | 172.9 | -176.5 | 179.4 | 156.3 | 0 | 0 | 111.2 | T174 G175 K176 G181 V347 S348 Y349 Q354 N355 | T174-E351 VanDerWaalsContact CA-OE1 3.25Å; T174-E351 WeakPolarHBondContact CA-OE1 3.36Å; T174-E351 HydrophobicContact CG2-CB 4.45Å; G175-E351 VanDerWaalsContact N-CD 3.27Å; G175-E351 PolarHBondContact N-OE1 3.24Å; G175-E351 PolarHBondContact N-OE2 2.9Å; K176-E351 PolarHBondContact N-OE1 3.47Å; K176-E351 IonicContact NZ-OE1 2.98Å; K176-E351 PolarHBondContact NZ-OE1 2.89Å; G181-E351 WeakPolarHBondContact O-CG 3.32Å; V347-E351 PolarHBondContact O-N 3.02Å; S348-E351 WeakPolarHBondContact O-CB 3.47Å; S348-E351 PolarHBondContact O-N 3.08Å; Y349-E351 VanDerWaalsContact C-N 3.29Å; Y349-E351 PolarHBondContact O-N 3.07Å; E351-Q354 PolarHBondContact O-N 3.41Å; E351-N355 WeakPolarHBondContact CG-ND2 3.38Å; E351-N355 WeakPolarHBondContact O-CB 3.4Å; E351-N355 VanDerWaalsContact O-CG 3.24Å; E351-N355 PolarHBondContact O-N 3.12Å; E351-N355 PolarHBondContact O-ND2 3.35Å |
| 352 | W | 98.5 | Very high | 97.4 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 11% | 0.11 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.4 | -177.8 | 84.6 | 0 | 0 | 0 | 112.9 | Y102 P138 G171 T174 S348 Y349 F350 N355 N356 | Y102-W352 HydrophobicContact CE1-CD2 4.29Å; Y102-W352 HydrophobicContact CE1-CE3 4.24Å; Y102-W352 HydrophobicContact CE1-CZ3 4.39Å; Y102-W352 AromaticContact CZ-CE3 4Å; Y102-W352 WeakPolarHBondContact OH-CB 3.39Å; P138-W352 WeakPolarHBondContact O-CZ2 3.39Å; P138-W352 PolarHBondContact O-NE1 3.35Å; G171-W352 VanDerWaalsContact O-CD1 3.22Å; T174-W352 HydrophobicContact CG2-CB 4.25Å; S348-W352 PolarHBondContact O-N 3.44Å; S348-W352 VanDerWaalsContact O-N 3.08Å; Y349-W352 HydrophobicContact CD2-CE3 4.27Å; Y349-W352 HydrophobicContact CE2-CE3 4.23Å; Y349-W352 HydrophobicContact CE2-CZ3 4.39Å; Y349-W352 WeakPolarHBondContact O-CB 3.24Å; Y349-W352 PolarHBondContact O-N 3.12Å; F350-W352 VanDerWaalsContact C-N 3.32Å; F350-W352 PolarHBondContact O-N 3.03Å; W352-N355 PolarHBondContact O-N 3.28Å; W352-N356 VanDerWaalsContact CE2-ND2 3.31Å; W352-N356 VanDerWaalsContact CE3-ND2 3.34Å; W352-N356 WeakPolarHBondContact CH2-ND2 3.44Å; W352-N356 WeakPolarHBondContact CZ2-ND2 3.46Å; W352-N356 WeakPolarHBondContact CZ3-ND2 3.32Å; W352-N356 VanDerWaalsContact O-CG 3.32Å; W352-N356 PolarHBondContact O-N 3.49Å |
| 353 | V | 98.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 12% | 0.121 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 174 | 172.4 | 0 | 0 | 0 | 0 | 111 | Y349 F350 N355 N356 Q357 W361 | Y349-V353 HydrophobicContact CD1-CG2 4.34Å; Y349-V353 HydrophobicContact CD2-CG2 3.97Å; Y349-V353 HydrophobicContact CE1-CG2 3.84Å; Y349-V353 HydrophobicContact CE2-CG2 3.41Å; Y349-V353 VanDerWaalsContact CE2-CG2 3.41Å; Y349-V353 HydrophobicContact CG-CG2 4.41Å; Y349-V353 WeakPolarHBondContact O-CG2 3.01Å; Y349-V353 PolarHBondContact O-N 2.96Å; F350-V353 PolarHBondContact O-N 2.53Å; V353-N355 VanDerWaalsContact C-N 3.29Å; V353-N355 PolarHBondContact O-N 3.06Å; V353-N356 PolarHBondContact O-N 2.81Å; V353-Q357 WeakPolarHBondContact O-CG 3.42Å; V353-Q357 PolarHBondContact O-N 3.31Å; V353-W361 HydrophobicContact CB-CH2 4.42Å; V353-W361 HydrophobicContact CG1-CH2 4Å; V353-W361 HydrophobicContact CG1-CZ2 3.86Å |
| 354 | Q | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -40.3 | 177 | -71.7 | 167.8 | 80.2 | 0 | 0 | 111.2 | S183 F350 E351 Q357 G358 Y359 Y360 W361 | S183-Q354 PolarHBondContact OG-NE2 3.38Å; F350-Q354 VanDerWaalsContact C-NE2 3.28Å; F350-Q354 WeakPolarHBondContact O-CB 3.41Å; F350-Q354 VanDerWaalsContact O-CG 3.26Å; F350-Q354 WeakPolarHBondContact O-CG 3.47Å; F350-Q354 PolarHBondContact O-N 2.84Å; F350-Q354 PolarHBondContact O-NE2 3.15Å; E351-Q354 PolarHBondContact O-N 3.41Å; Q354-Q357 CarbonylContact O-C 3.48Å; Q354-Q357 PolarHBondContact O-N 2.71Å; Q354-G358 WeakPolarHBondContact O-CA 3.36Å; Q354-G358 PolarHBondContact O-N 3.47Å; Q354-Y359 WeakPolarHBondContact CA-O 3.41Å; Q354-Y359 VanDerWaalsContact CB-O 3.22Å; Q354-Y359 WeakPolarHBondContact CB-O 3.27Å; Q354-Y359 WeakPolarHBondContact CG-O 3.43Å; Q354-Y359 PolarHBondContact O-N 2.8Å; Q354-Y360 HydrophobicContact CB-CD1 4.05Å; Q354-Y360 HydrophobicContact CB-CE1 4.35Å; Q354-W361 HydrophobicContact CG-CD2 3.83Å; Q354-W361 HydrophobicContact CG-CE3 4.31Å; Q354-W361 HydrophobicContact CG-CG 4.03Å; Q354-W361 HydrophobicContact CG-CZ2 4.34Å |
| 355 | N | 98.3 | Very high | 97.6 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -35.8 | 176.2 | -75.7 | -50.2 | 0 | 0 | 0 | 113.2 | P170 K176 G181 E351 W352 V353 Q357 Y360 | P170-N355 WeakPolarHBondContact CB-OD1 3.25Å; P170-N355 HydrophobicContact CG-CB 4.41Å; K176-N355 PolarHBondContact NZ-ND2 3.07Å; G181-N355 PolarHBondContact O-ND2 2.9Å; G181-N355 PolarHBondContact O-OD1 3.37Å; G181-N355 VanDerWaalsContact O-OD1 3.11Å; E351-N355 WeakPolarHBondContact CG-ND2 3.38Å; E351-N355 WeakPolarHBondContact O-CB 3.4Å; E351-N355 VanDerWaalsContact O-CG 3.24Å; E351-N355 PolarHBondContact O-N 3.12Å; E351-N355 PolarHBondContact O-ND2 3.35Å; W352-N355 PolarHBondContact O-N 3.28Å; V353-N355 VanDerWaalsContact C-N 3.29Å; V353-N355 PolarHBondContact O-N 3.06Å; N355-Q357 VanDerWaalsContact C-N 3.28Å; N355-Y360 PolarHBondContact OD1-OH 3.16Å |
| 356 | N | 97.7 | Very high | 97.7 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.1 | -30.7 | 173.1 | -70.2 | -19.5 | 0 | 0 | 0 | 112.2 | W352 V353 | W352-N356 VanDerWaalsContact CE2-ND2 3.31Å; W352-N356 VanDerWaalsContact CE3-ND2 3.34Å; W352-N356 WeakPolarHBondContact CH2-ND2 3.44Å; W352-N356 WeakPolarHBondContact CZ2-ND2 3.46Å; W352-N356 WeakPolarHBondContact CZ3-ND2 3.32Å; W352-N356 VanDerWaalsContact O-CG 3.32Å; W352-N356 PolarHBondContact O-N 3.49Å; V353-N356 PolarHBondContact O-N 2.81Å |
| 357 | Q | 97.4 | Very high | 97.6 | Very high | 117 Ų | 117 | 48.5 Ų | 48.5 | 55% | 0.547 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -86.9 | -26.5 | -179.5 | -69.3 | 175.3 | -11.8 | 0 | 0 | 113.3 | V353 Q354 N355 Y359 | V353-Q357 WeakPolarHBondContact O-CG 3.42Å; V353-Q357 PolarHBondContact O-N 3.31Å; Q354-Q357 CarbonylContact O-C 3.48Å; Q354-Q357 PolarHBondContact O-N 2.71Å; N355-Q357 VanDerWaalsContact C-N 3.28Å; Q357-Y359 PolarHBondContact O-N 3.43Å |
| 358 | G | 96.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 58% | 0.577 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 25.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q354 | Q354-G358 WeakPolarHBondContact O-CA 3.36Å; Q354-G358 PolarHBondContact O-N 3.47Å |
| 359 | Y | 97.7 | Very high | 97.7 | Very high | 153 Ų | 153 | 58 Ų | 58 | 60% | 0.6 | 28% | 0.284 | S | S | * | . | trans | -134 | 129.5 | -177 | -175.5 | -99.8 | 0 | 0 | 0 | 109.7 | Q354 Q357 W361 | Q354-Y359 WeakPolarHBondContact CA-O 3.41Å; Q354-Y359 VanDerWaalsContact CB-O 3.22Å; Q354-Y359 WeakPolarHBondContact CB-O 3.27Å; Q354-Y359 WeakPolarHBondContact CG-O 3.43Å; Q354-Y359 PolarHBondContact O-N 2.8Å; Q357-Y359 PolarHBondContact O-N 3.43Å; Y359-W361 AromaticContact CD1-CD1 3.93Å | ||
| 360 | Y | 97.9 | Very high | 97.6 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | trans | -113.6 | 137.3 | -170.2 | -61 | -86.3 | 0 | 0 | 0 | 111.4 | G181 Q354 N355 | G181-Y360 VanDerWaalsContact CA-CE1 3.47Å; G181-Y360 WeakPolarHBondContact CA-OH 3.46Å; Q354-Y360 HydrophobicContact CB-CD1 4.05Å; Q354-Y360 HydrophobicContact CB-CE1 4.35Å; N355-Y360 PolarHBondContact OD1-OH 3.16Å | ||
| 361 | W | 98 | Very high | 97.6 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | trans | -91.2 | 158.1 | -174.4 | -54.9 | -21.5 | 0 | 0 | 0 | 111.5 | H184 F350 V353 Q354 Y359 E365 V366 K369 | H184-W361 PolarHBondContact CD2-O 2.98Å; F350-W361 HydrophobicContact CB-CE3 4.22Å; F350-W361 HydrophobicContact CB-CH2 4.44Å; F350-W361 HydrophobicContact CB-CZ3 3.65Å; F350-W361 HydrophobicContact CD1-CH2 4.25Å; F350-W361 AromaticContact CD1-CZ3 3.76Å; F350-W361 HydrophobicContact CD1-CZ3 3.76Å; F350-W361 HydrophobicContact CD2-CZ3 4.37Å; F350-W361 HydrophobicContact CE1-CZ3 4.5Å; F350-W361 HydrophobicContact CG-CE3 4.48Å; F350-W361 AromaticContact CG-CZ3 3.69Å; F350-W361 HydrophobicContact CG-CZ3 3.69Å; V353-W361 HydrophobicContact CB-CH2 4.42Å; V353-W361 HydrophobicContact CG1-CH2 4Å; V353-W361 HydrophobicContact CG1-CZ2 3.86Å; Q354-W361 HydrophobicContact CG-CD2 3.83Å; Q354-W361 HydrophobicContact CG-CE3 4.31Å; Q354-W361 HydrophobicContact CG-CG 4.03Å; Q354-W361 HydrophobicContact CG-CZ2 4.34Å; Y359-W361 AromaticContact CD1-CD1 3.93Å; W361-E365 HydrophobicContact CB-CB 4.28Å; W361-E365 HydrophobicContact CB-CG 4.15Å; W361-E365 HydrophobicContact CG-CG 4.35Å; W361-V366 HydrophobicContact CB-CG2 4.17Å; W361-V366 HydrophobicContact CE3-CG2 4.26Å; W361-K369 HydrophobicContact CE3-CD 3.92Å; W361-K369 HydrophobicContact CH2-CD 3.96Å; W361-K369 HydrophobicContact CZ3-CD 3.45Å; W361-K369 VanDerWaalsContact CZ3-CD 3.45Å | ||
| 362 | S | 97.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | trans | -70.9 | 164.4 | 172 | 88.2 | 0 | 0 | 0 | 0 | 111.3 | E364 E365 V366 | S362-E364 VanDerWaalsContact C-N 3.28Å; S362-E364 WeakPolarHBondContact CB-OE2 3.17Å; S362-E364 PolarHBondContact O-N 3.46Å; S362-E364 PolarHBondContact OG-N 2.9Å; S362-E364 PolarHBondContact OG-OE2 3.49Å; S362-E365 PolarHBondContact O-N 3.35Å; S362-E365 PolarHBondContact OG-N 2.92Å; S362-V366 WeakPolarHBondContact O-CG2 3.46Å; S362-V366 PolarHBondContact O-N 3.01Å; S362-V366 VanDerWaalsContact O-N 3.09Å | ||
| 363 | E | 95.6 | Very high | 97.6 | Very high | 64 Ų | 64 | 66.7 Ų | 66.7 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 177.2 | -173.7 | 168.8 | 127.4 | 0 | 0 | 112.2 | H184 R188 V366 N367 | H184-E363 HydrophobicContact CB-CB 4.01Å; H184-E363 HydrophobicContact CB-CG 4.43Å; R188-E363 IonicContact CZ-OE1 2.65Å; R188-E363 IonicContact NH1-OE1 3.94Å; R188-E363 PolarHBondContact NH1-OE1 2.7Å; R188-E363 IonicContact NH2-OE1 3.95Å; R188-E363 PolarHBondContact NH2-OE1 3.33Å; E363-V366 PolarHBondContact O-N 3.45Å; E363-N367 PolarHBondContact O-N 2.94Å; E363-N367 PolarHBondContact O-ND2 3.32Å |
| 364 | E | 96.5 | Very high | 97.5 | Very high | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63 | -49 | 176.6 | -58.3 | 73 | -157 | 0 | 0 | 110.8 | S362 V366 N367 E368 | S362-E364 VanDerWaalsContact C-N 3.28Å; S362-E364 WeakPolarHBondContact CB-OE2 3.17Å; S362-E364 PolarHBondContact O-N 3.46Å; S362-E364 PolarHBondContact OG-N 2.9Å; S362-E364 PolarHBondContact OG-OE2 3.49Å; E364-V366 VanDerWaalsContact C-N 3.31Å; E364-V366 PolarHBondContact O-N 2.96Å; E364-N367 PolarHBondContact O-N 3.11Å; E364-N367 VanDerWaalsContact O-N 3.16Å; E364-E368 WeakPolarHBondContact O-CB 3.45Å; E364-E368 PolarHBondContact O-N 3.33Å |
| 365 | E | 97.9 | Very high | 97.5 | Very high | 61 Ų | 61 | 68.2 Ų | 68.2 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 178.7 | 176.3 | 170.7 | -168.9 | 0 | 0 | 111.5 | W361 S362 K369 | W361-E365 HydrophobicContact CB-CB 4.28Å; W361-E365 HydrophobicContact CB-CG 4.15Å; W361-E365 HydrophobicContact CG-CG 4.35Å; S362-E365 PolarHBondContact O-N 3.35Å; S362-E365 PolarHBondContact OG-N 2.92Å; E365-K369 HydrophobicContact CG-CD 4.39Å; E365-K369 VanDerWaalsContact CG-CE 3.43Å; E365-K369 WeakPolarHBondContact O-CG 3.37Å; E365-K369 PolarHBondContact O-N 3.02Å; E365-K369 VanDerWaalsContact O-N 3.12Å; E365-K369 WeakPolarHBondContact OE1-CE 3.34Å; E365-K369 IonicContact OE1-NZ 3.39Å; E365-K369 PolarHBondContact OE1-NZ 3.14Å |
| 366 | V | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 174.8 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | H184 V347 F350 W361 S362 E363 E364 L370 | H184-V366 WeakPolarHBondContact O-CG1 3.4Å; V347-V366 HydrophobicContact CG1-CG1 4.01Å; V347-V366 HydrophobicContact CG2-CG1 4.02Å; F350-V366 HydrophobicContact CD2-CG1 4.18Å; W361-V366 HydrophobicContact CB-CG2 4.17Å; W361-V366 HydrophobicContact CE3-CG2 4.26Å; S362-V366 WeakPolarHBondContact O-CG2 3.46Å; S362-V366 PolarHBondContact O-N 3.01Å; S362-V366 VanDerWaalsContact O-N 3.09Å; E363-V366 PolarHBondContact O-N 3.45Å; E364-V366 VanDerWaalsContact C-N 3.31Å; E364-V366 PolarHBondContact O-N 2.96Å; V366-L370 VanDerWaalsContact O-CB 3.23Å; V366-L370 WeakPolarHBondContact O-CB 3.37Å; V366-L370 PolarHBondContact O-N 2.88Å |
| 367 | N | 96.3 | Very high | 97.6 | Very high | 39 Ų | 39 | 66.2 Ų | 66.2 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.6 | -38.2 | -178.5 | -65.7 | -28.9 | 0 | 0 | 0 | 112 | R188 E363 E364 L370 R371 | R188-N367 PolarHBondContact NH2-ND2 3.32Å; R188-N367 VanDerWaalsContact NH2-ND2 3.15Å; E363-N367 PolarHBondContact O-N 2.94Å; E363-N367 PolarHBondContact O-ND2 3.32Å; E364-N367 PolarHBondContact O-N 3.11Å; E364-N367 VanDerWaalsContact O-N 3.16Å; N367-L370 PolarHBondContact O-N 3.28Å; N367-R371 WeakPolarHBondContact O-CB 3.4Å; N367-R371 PolarHBondContact O-N 2.9Å |
| 368 | E | 97.6 | Very high | 97.6 | Very high | 142 Ų | 142 | 60.7 Ų | 60.7 | 66% | 0.664 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.9 | -53.5 | 175.7 | -175.9 | -179.5 | -177.6 | 0 | 0 | 111 | E364 L370 R371 E372 | E364-E368 WeakPolarHBondContact O-CB 3.45Å; E364-E368 PolarHBondContact O-N 3.33Å; E368-L370 VanDerWaalsContact C-N 3.28Å; E368-L370 PolarHBondContact O-N 3.15Å; E368-R371 PolarHBondContact O-N 3.32Å; E368-E372 PolarHBondContact O-N 3.1Å |
| 369 | K | 98 | Very high | 97.7 | Very high | 62 Ų | 62 | 60.2 Ų | 60.2 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -34.3 | 178 | -66.4 | -177.6 | -157.9 | -63.9 | 0 | 112.6 | F350 W361 E365 K373 | F350-K369 HydrophobicContact CE1-CB 4.23Å; F350-K369 HydrophobicContact CE2-CB 3.8Å; F350-K369 HydrophobicContact CZ-CB 3.52Å; W361-K369 HydrophobicContact CE3-CD 3.92Å; W361-K369 HydrophobicContact CH2-CD 3.96Å; W361-K369 HydrophobicContact CZ3-CD 3.45Å; W361-K369 VanDerWaalsContact CZ3-CD 3.45Å; E365-K369 HydrophobicContact CG-CD 4.39Å; E365-K369 VanDerWaalsContact CG-CE 3.43Å; E365-K369 WeakPolarHBondContact O-CG 3.37Å; E365-K369 PolarHBondContact O-N 3.02Å; E365-K369 VanDerWaalsContact O-N 3.12Å; E365-K369 WeakPolarHBondContact OE1-CE 3.34Å; E365-K369 IonicContact OE1-NZ 3.39Å; E365-K369 PolarHBondContact OE1-NZ 3.14Å; K369-K373 PolarHBondContact O-N 3.4Å |
| 370 | L | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -48.5 | 175.6 | 173 | 62.3 | 0 | 0 | 0 | 110.8 | L192 I196 T346 V347 F350 V366 N367 E368 K373 L374 | L192-L370 HydrophobicContact CB-CD2 4.44Å; L192-L370 HydrophobicContact CD2-CD2 3.82Å; L192-L370 HydrophobicContact CG-CD2 4.12Å; I196-L370 HydrophobicContact CD1-CG 4.28Å; T346-L370 HydrophobicContact CG2-CD1 3.74Å; V347-L370 HydrophobicContact CG2-CB 4.49Å; V347-L370 HydrophobicContact CG2-CD1 4.12Å; V347-L370 HydrophobicContact CG2-CD2 3.95Å; V347-L370 HydrophobicContact CG2-CG 4.42Å; F350-L370 HydrophobicContact CE2-CB 4.18Å; V366-L370 VanDerWaalsContact O-CB 3.23Å; V366-L370 WeakPolarHBondContact O-CB 3.37Å; V366-L370 PolarHBondContact O-N 2.88Å; N367-L370 PolarHBondContact O-N 3.28Å; E368-L370 VanDerWaalsContact C-N 3.28Å; E368-L370 PolarHBondContact O-N 3.15Å; L370-K373 PolarHBondContact O-N 3.11Å; L370-L374 HydrophobicContact CD1-CD1 3.6Å; L370-L374 HydrophobicContact CD1-CG 4.09Å; L370-L374 HydrophobicContact CG-CD1 4.09Å; L370-L374 PolarHBondContact O-N 3.33Å; L370-L374 VanDerWaalsContact O-N 3.08Å |
| 371 | R | 97.8 | Very high | 97.8 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 178.8 | -178.7 | 173.3 | -76.3 | -78.6 | 4.2 | 111.1 | I196 E199 N367 E368 K373 L374 E375 | I196-R371 HydrophobicContact CD1-CB 4.17Å; E199-R371 IonicContact OE1-NH2 3.76Å; E199-R371 IonicContact OE2-CZ 2.75Å; E199-R371 VanDerWaalsContact OE2-CZ 3.25Å; E199-R371 IonicContact OE2-NH1 3.37Å; E199-R371 PolarHBondContact OE2-NH1 3.29Å; E199-R371 IonicContact OE2-NH2 2.92Å; E199-R371 PolarHBondContact OE2-NH2 3.21Å; N367-R371 WeakPolarHBondContact O-CB 3.4Å; N367-R371 PolarHBondContact O-N 2.9Å; E368-R371 PolarHBondContact O-N 3.32Å; R371-K373 VanDerWaalsContact C-N 3.31Å; R371-K373 PolarHBondContact O-N 3.45Å; R371-L374 PolarHBondContact O-N 2.88Å; R371-E375 VanDerWaalsContact CG-CD 3.47Å; R371-E375 HydrophobicContact CG-CG 3.98Å; R371-E375 WeakPolarHBondContact CG-OE1 3.37Å; R371-E375 IonicContact CZ-OE1 3.42Å; R371-E375 IonicContact NH1-OE1 2.58Å; R371-E375 PolarHBondContact NH1-OE1 3Å; R371-E375 WeakPolarHBondContact O-CB 3.24Å; R371-E375 VanDerWaalsContact O-CG 3.3Å; R371-E375 WeakPolarHBondContact O-CG 3.39Å; R371-E375 PolarHBondContact O-N 3.44Å |
| 372 | E | 98 | Very high | 97.8 | Very high | 136 Ų | 136 | 51.7 Ų | 51.7 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -52.5 | -48.6 | 177.9 | -173.6 | -167.9 | 161.9 | 0 | 0 | 111.9 | E368 A376 | E368-E372 PolarHBondContact O-N 3.1Å; E372-A376 WeakPolarHBondContact O-CB 3.33Å; E372-A376 PolarHBondContact O-N 3.18Å; E372-A376 VanDerWaalsContact O-N 3.14Å |
| 373 | K | 98 | Very high | 97.9 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | -179.8 | -80.6 | -170.4 | 163.1 | -66.9 | 0 | 113.5 | V98 L100 T346 F350 K369 L370 R371 A377 | V98-K373 PolarHBondContact O-NZ 2.86Å; V98-K373 VanDerWaalsContact O-NZ 3.15Å; L100-K373 HydrophobicContact CD2-CD 4.37Å; T346-K373 HydrophobicContact CG2-CB 4.25Å; T346-K373 HydrophobicContact CG2-CD 3.66Å; F350-K373 HydrophobicContact CE1-CD 4.01Å; F350-K373 HydrophobicContact CZ-CD 3.92Å; K369-K373 PolarHBondContact O-N 3.4Å; L370-K373 PolarHBondContact O-N 3.11Å; R371-K373 VanDerWaalsContact C-N 3.31Å; R371-K373 PolarHBondContact O-N 3.45Å; K373-A377 VanDerWaalsContact O-CB 3.3Å; K373-A377 WeakPolarHBondContact O-CB 3.19Å; K373-A377 PolarHBondContact O-N 2.9Å; K373-A377 VanDerWaalsContact O-N 3.09Å |
| 374 | L | 98 | Very high | 98 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -76.1 | -37.2 | -176 | -75.1 | 176.5 | 0 | 0 | 0 | 112.6 | V98 I196 A342 L370 R371 A377 F378 | V98-L374 HydrophobicContact CG1-CD2 3.73Å; I196-L374 HydrophobicContact CD1-CD1 3.91Å; I196-L374 HydrophobicContact CG2-CB 3.89Å; A342-L374 HydrophobicContact CB-CD2 3.95Å; L370-L374 HydrophobicContact CD1-CD1 3.6Å; L370-L374 HydrophobicContact CD1-CG 4.09Å; L370-L374 HydrophobicContact CG-CD1 4.09Å; L370-L374 PolarHBondContact O-N 3.33Å; L370-L374 VanDerWaalsContact O-N 3.08Å; R371-L374 PolarHBondContact O-N 2.88Å; L374-A377 PolarHBondContact O-N 3.04Å; L374-F378 WeakPolarHBondContact O-CB 3.45Å; L374-F378 PolarHBondContact O-N 3.48Å |
| 375 | E | 98.3 | Very high | 98.1 | Very high | 48 Ų | 48 | 46.8 Ų | 46.8 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64 | -46.8 | 174.8 | -66.4 | -173.6 | 161.9 | 0 | 0 | 110.7 | I196 Q200 R371 A377 F378 D379 | I196-E375 HydrophobicContact CG2-CG 3.72Å; Q200-E375 HydrophobicContact CG-CG 4.12Å; Q200-E375 VanDerWaalsContact NE2-CG 3.31Å; Q200-E375 PolarHBondContact NE2-OE1 3.39Å; Q200-E375 VanDerWaalsContact NE2-OE1 3.1Å; R371-E375 VanDerWaalsContact CG-CD 3.47Å; R371-E375 HydrophobicContact CG-CG 3.98Å; R371-E375 WeakPolarHBondContact CG-OE1 3.37Å; R371-E375 IonicContact CZ-OE1 3.42Å; R371-E375 IonicContact NH1-OE1 2.58Å; R371-E375 PolarHBondContact NH1-OE1 3Å; R371-E375 WeakPolarHBondContact O-CB 3.24Å; R371-E375 VanDerWaalsContact O-CG 3.3Å; R371-E375 WeakPolarHBondContact O-CG 3.39Å; R371-E375 PolarHBondContact O-N 3.44Å; E375-A377 VanDerWaalsContact C-N 3.33Å; E375-A377 PolarHBondContact O-N 2.78Å; E375-F378 PolarHBondContact O-N 3.27Å; E375-D379 WeakPolarHBondContact O-CB 3.45Å; E375-D379 PolarHBondContact O-N 2.85Å |
| 376 | A | 98.4 | Very high | 98 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 45% | 0.446 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E372 T380 | E372-A376 WeakPolarHBondContact O-CB 3.33Å; E372-A376 PolarHBondContact O-N 3.18Å; E372-A376 VanDerWaalsContact O-N 3.14Å; A376-T380 WeakPolarHBondContact O-CB 3.3Å; A376-T380 PolarHBondContact O-N 3.22Å; A376-T380 PolarHBondContact O-OG1 2.73Å |
| 377 | A | 98.5 | Very high | 98 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I97 V98 L339 K373 L374 E375 I381 | I97-A377 HydrophobicContact CG2-CB 3.9Å; I97-A377 WeakPolarHBondContact O-CB 3.39Å; V98-A377 HydrophobicContact CG1-CB 4.1Å; L339-A377 HydrophobicContact CD1-CB 3.93Å; K373-A377 VanDerWaalsContact O-CB 3.3Å; K373-A377 WeakPolarHBondContact O-CB 3.19Å; K373-A377 PolarHBondContact O-N 2.9Å; K373-A377 VanDerWaalsContact O-N 3.09Å; L374-A377 PolarHBondContact O-N 3.04Å; E375-A377 VanDerWaalsContact C-N 3.33Å; E375-A377 PolarHBondContact O-N 2.78Å; A377-I381 WeakPolarHBondContact O-CG1 3.49Å; A377-I381 PolarHBondContact O-N 3.44Å; A377-I381 VanDerWaalsContact O-N 3.14Å |
| 378 | F | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -50.5 | 176.1 | -173.8 | -75.7 | 0 | 0 | 0 | 111 | A197 Q200 A201 R204 V335 L339 L374 E375 T380 I381 Y382 M392 | A197-F378 WeakPolarHBondContact O-CE2 3.35Å; Q200-F378 HydrophobicContact CB-CB 4.28Å; Q200-F378 HydrophobicContact CB-CD1 3.51Å; Q200-F378 HydrophobicContact CB-CD2 3.77Å; Q200-F378 HydrophobicContact CB-CE1 3.7Å; Q200-F378 HydrophobicContact CB-CE2 3.93Å; Q200-F378 HydrophobicContact CB-CG 3.57Å; Q200-F378 HydrophobicContact CB-CZ 3.92Å; Q200-F378 HydrophobicContact CG-CB 4.36Å; Q200-F378 HydrophobicContact CG-CD1 4.3Å; Q200-F378 HydrophobicContact CG-CG 4.18Å; A201-F378 HydrophobicContact CB-CE2 4.15Å; A201-F378 HydrophobicContact CB-CZ 3.96Å; R204-F378 HydrophobicContact CG-CE1 4.09Å; V335-F378 HydrophobicContact CG1-CD2 4.35Å; V335-F378 HydrophobicContact CG1-CE2 4.02Å; V335-F378 HydrophobicContact CG2-CE2 3.84Å; V335-F378 HydrophobicContact CG2-CZ 4.44Å; L339-F378 HydrophobicContact CD2-CB 4.29Å; L339-F378 HydrophobicContact CD2-CD2 3.82Å; L339-F378 HydrophobicContact CD2-CG 4.32Å; L374-F378 WeakPolarHBondContact O-CB 3.45Å; L374-F378 PolarHBondContact O-N 3.48Å; E375-F378 PolarHBondContact O-N 3.27Å; F378-T380 PolarHBondContact O-N 3Å; F378-I381 PolarHBondContact O-N 3.42Å; F378-Y382 HydrophobicContact CE1-CD2 4.18Å; F378-Y382 HydrophobicContact CE1-CG 4.21Å; F378-Y382 WeakPolarHBondContact O-CB 3.39Å; F378-Y382 PolarHBondContact O-N 3.4Å; F378-M392 HydrophobicContact CZ-CE 4.42Å |
| 379 | D | 98.4 | Very high | 97.9 | Very high | 45 Ų | 45 | 61.5 Ų | 61.5 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | -177.6 | -74.3 | -11.8 | 0 | 0 | 0 | 111.5 | R204 E375 I381 Y382 E383 | R204-D379 IonicContact CZ-OD1 3.56Å; R204-D379 VanDerWaalsContact NH2-CG 3.33Å; R204-D379 IonicContact NH2-OD1 3.02Å; R204-D379 PolarHBondContact NH2-OD1 2.75Å; R204-D379 IonicContact NH2-OD2 2.73Å; E375-D379 WeakPolarHBondContact O-CB 3.45Å; E375-D379 PolarHBondContact O-N 2.85Å; D379-I381 VanDerWaalsContact C-N 3.33Å; D379-I381 PolarHBondContact O-N 3.45Å; D379-Y382 PolarHBondContact O-N 3.45Å; D379-E383 WeakPolarHBondContact O-CB 3.47Å; D379-E383 VanDerWaalsContact O-CG 3.29Å; D379-E383 WeakPolarHBondContact O-CG 3.41Å; D379-E383 PolarHBondContact O-N 2.75Å |
| 380 | T | 98.3 | Very high | 97.8 | Very high | 68 Ų | 68 | 59.8 Ų | 59.8 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | A376 F378 L384 I399 | A376-T380 WeakPolarHBondContact O-CB 3.3Å; A376-T380 PolarHBondContact O-N 3.22Å; A376-T380 PolarHBondContact O-OG1 2.73Å; F378-T380 PolarHBondContact O-N 3Å; T380-L384 WeakPolarHBondContact O-CB 3.23Å; T380-L384 PolarHBondContact O-N 3.05Å; T380-L384 VanDerWaalsContact O-N 3.13Å; T380-I399 HydrophobicContact CG2-CD1 3.74Å; T380-I399 HydrophobicContact CG2-CG1 4.14Å; T380-I399 HydrophobicContact CG2-CG2 4.42Å |
| 381 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.4 | -44.6 | 180 | -71.2 | 168.6 | 0 | 0 | 0 | 110.7 | I97 L339 A377 F378 D379 L384 S385 M392 A395 A396 I399 | I97-I381 HydrophobicContact CB-CD1 4.46Å; I97-I381 HydrophobicContact CD1-CD1 4.33Å; I97-I381 HydrophobicContact CG1-CD1 4.09Å; I97-I381 HydrophobicContact CG2-CD1 3.62Å; L339-I381 HydrophobicContact CB-CD1 4.2Å; L339-I381 HydrophobicContact CD1-CD1 4.12Å; L339-I381 HydrophobicContact CD2-CD1 3.91Å; L339-I381 HydrophobicContact CG-CD1 4.3Å; A377-I381 WeakPolarHBondContact O-CG1 3.49Å; A377-I381 PolarHBondContact O-N 3.44Å; A377-I381 VanDerWaalsContact O-N 3.14Å; F378-I381 PolarHBondContact O-N 3.42Å; D379-I381 VanDerWaalsContact C-N 3.33Å; D379-I381 PolarHBondContact O-N 3.45Å; I381-L384 PolarHBondContact O-N 3.09Å; I381-S385 WeakPolarHBondContact O-CB 3.34Å; I381-S385 PolarHBondContact O-N 2.94Å; I381-M392 HydrophobicContact CG2-CE 3.76Å; I381-M392 HydrophobicContact CG2-SD 3.98Å; I381-A395 HydrophobicContact CG2-CB 3.99Å; I381-A396 HydrophobicContact CD1-CB 3.81Å; I381-A396 HydrophobicContact CG1-CB 4.38Å; I381-A396 HydrophobicContact CG2-CB 4.05Å; I381-I399 HydrophobicContact CG1-CB 4.15Å; I381-I399 HydrophobicContact CG1-CG1 4.01Å; I381-I399 HydrophobicContact CG1-CG2 4.4Å |
| 382 | Y | 98.5 | Very high | 97.8 | Very high | 36 Ų | 36 | 58.5 Ų | 58.5 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 179.9 | -173.6 | -93 | 0 | 0 | 0 | 111.3 | R204 L333 F378 D379 L384 S385 Q386 M392 | R204-Y382 HydrophobicContact CB-CE1 4.27Å; R204-Y382 HydrophobicContact CB-CE2 3.95Å; R204-Y382 HydrophobicContact CG-CD1 4.09Å; R204-Y382 HydrophobicContact CG-CD2 4.13Å; R204-Y382 HydrophobicContact CG-CE1 3.84Å; R204-Y382 HydrophobicContact CG-CE2 3.88Å; R204-Y382 HydrophobicContact CG-CG 4.24Å; L333-Y382 HydrophobicContact CD1-CD2 4.29Å; L333-Y382 HydrophobicContact CD1-CE2 3.98Å; L333-Y382 HydrophobicContact CD2-CE2 4.25Å; F378-Y382 HydrophobicContact CE1-CD2 4.18Å; F378-Y382 HydrophobicContact CE1-CG 4.21Å; F378-Y382 WeakPolarHBondContact O-CB 3.39Å; F378-Y382 PolarHBondContact O-N 3.4Å; D379-Y382 PolarHBondContact O-N 3.45Å; Y382-L384 VanDerWaalsContact C-N 3.32Å; Y382-L384 PolarHBondContact O-N 3.02Å; Y382-S385 WeakPolarHBondContact O-CB 3.45Å; Y382-S385 PolarHBondContact O-N 3.44Å; Y382-Q386 HydrophobicContact CD1-CG 3.96Å; Y382-Q386 HydrophobicContact CE1-CG 3.56Å; Y382-Q386 WeakPolarHBondContact O-CG 3.39Å; Y382-Q386 PolarHBondContact O-N 3.43Å; Y382-M392 VanDerWaalsContact CA-SD 3.59Å; Y382-M392 HydrophobicContact CD2-CE 4.16Å; Y382-M392 HydrophobicContact CD2-SD 3.84Å; Y382-M392 HydrophobicContact CG-SD 4.42Å |
| 383 | E | 98.1 | Very high | 97.8 | Very high | 111 Ų | 111 | 52.7 Ų | 52.7 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 176.3 | -72.7 | 179.4 | 178.9 | 0 | 0 | 112 | D379 Q386 N387 | D379-E383 WeakPolarHBondContact O-CB 3.47Å; D379-E383 VanDerWaalsContact O-CG 3.29Å; D379-E383 WeakPolarHBondContact O-CG 3.41Å; D379-E383 PolarHBondContact O-N 2.75Å; E383-Q386 PolarHBondContact O-N 2.99Å; E383-N387 VanDerWaalsContact O-CB 3.23Å; E383-N387 WeakPolarHBondContact O-CB 3.37Å; E383-N387 PolarHBondContact O-N 3.4Å; E383-N387 PolarHBondContact O-ND2 2.96Å; E383-N387 VanDerWaalsContact O-ND2 3.1Å |
| 384 | L | 98.1 | Very high | 97.8 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 15% | 0.152 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 175.8 | -179 | 67.5 | 0 | 0 | 0 | 111.7 | T380 I381 Y382 N387 R388 A395 I398 I399 | T380-L384 WeakPolarHBondContact O-CB 3.23Å; T380-L384 PolarHBondContact O-N 3.05Å; T380-L384 VanDerWaalsContact O-N 3.13Å; I381-L384 PolarHBondContact O-N 3.09Å; Y382-L384 VanDerWaalsContact C-N 3.32Å; Y382-L384 PolarHBondContact O-N 3.02Å; L384-N387 PolarHBondContact O-N 3.28Å; L384-R388 HydrophobicContact CD1-CG 3.94Å; L384-R388 WeakPolarHBondContact O-CB 3.26Å; L384-R388 PolarHBondContact O-N 3.3Å; L384-A395 HydrophobicContact CB-CB 4.38Å; L384-A395 HydrophobicContact CD2-CB 4.12Å; L384-A395 HydrophobicContact CG-CB 4.28Å; L384-I398 HydrophobicContact CD2-CB 3.9Å; L384-I398 HydrophobicContact CD2-CD1 4.33Å; L384-I398 HydrophobicContact CD2-CG2 3.66Å; L384-I399 HydrophobicContact CD2-CD1 3.73Å; L384-I399 HydrophobicContact CD2-CG1 3.74Å |
| 385 | S | 97.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.9 | -49 | 177 | 166.8 | 0 | 0 | 0 | 0 | 111 | I381 Y382 K389 I390 | I381-S385 WeakPolarHBondContact O-CB 3.34Å; I381-S385 PolarHBondContact O-N 2.94Å; Y382-S385 WeakPolarHBondContact O-CB 3.45Å; Y382-S385 PolarHBondContact O-N 3.44Å; S385-K389 WeakPolarHBondContact O-CA 3.22Å; S385-K389 PolarHBondContact O-N 3.18Å; S385-I390 WeakPolarHBondContact CB-O 3.36Å; S385-I390 PolarHBondContact O-N 3.34Å; S385-I390 VanDerWaalsContact O-N 3.13Å; S385-I390 PolarHBondContact OG-O 2.93Å |
| 386 | Q | 97.2 | Very high | 97.8 | Very high | 102 Ų | 102 | 48 Ų | 48 | 48% | 0.477 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66 | -47.8 | 179.7 | -62.5 | -48.1 | -70.6 | 0 | 0 | 112.3 | Y382 E383 R388 K389 | Y382-Q386 HydrophobicContact CD1-CG 3.96Å; Y382-Q386 HydrophobicContact CE1-CG 3.56Å; Y382-Q386 WeakPolarHBondContact O-CG 3.39Å; Y382-Q386 PolarHBondContact O-N 3.43Å; E383-Q386 PolarHBondContact O-N 2.99Å; Q386-R388 PolarHBondContact O-N 2.91Å; Q386-K389 PolarHBondContact O-N 2.92Å |
| 387 | N | 97.4 | Very high | 97.8 | Very high | 134 Ų | 134 | 45.8 Ų | 45.8 | 72% | 0.717 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -66.4 | -36.5 | -176.2 | -72.3 | -28.6 | 0 | 0 | 0 | 112.6 | E383 L384 | E383-N387 VanDerWaalsContact O-CB 3.23Å; E383-N387 WeakPolarHBondContact O-CB 3.37Å; E383-N387 PolarHBondContact O-N 3.4Å; E383-N387 PolarHBondContact O-ND2 2.96Å; E383-N387 VanDerWaalsContact O-ND2 3.1Å; L384-N387 PolarHBondContact O-N 3.28Å |
| 388 | R | 96.2 | Very high | 97.8 | Very high | 122 Ų | 122 | 45.7 Ų | 45.7 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -95.2 | -3.1 | 179.6 | -66.5 | -167 | 176.6 | -160.9 | -2.8 | 114.1 | K21 L384 Q386 I390 | K21-R388 PolarHBondContact O-NH1 3.07Å; L384-R388 HydrophobicContact CD1-CG 3.94Å; L384-R388 WeakPolarHBondContact O-CB 3.26Å; L384-R388 PolarHBondContact O-N 3.3Å; Q386-R388 PolarHBondContact O-N 2.91Å; R388-I390 VanDerWaalsContact C-N 3.3Å; R388-I390 HydrophobicContact CB-CD1 4.13Å; R388-I390 HydrophobicContact CB-CG1 4.08Å; R388-I390 HydrophobicContact CB-CG2 4.36Å; R388-I390 PolarHBondContact O-N 2.83Å |
| 389 | K | 95.4 | Very high | 97.7 | Very high | 193 Ų | 193 | 47.3 Ų | 47.3 | 84% | 0.839 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 48.7 | -176.3 | -57.1 | -177.8 | -179.8 | -178.1 | 0 | 112.4 | S385 Q386 | S385-K389 WeakPolarHBondContact O-CA 3.22Å; S385-K389 PolarHBondContact O-N 3.18Å; Q386-K389 PolarHBondContact O-N 2.92Å |
| 390 | I | 96.7 | Very high | 97.7 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | trans | -120.1 | 158 | 176.2 | 58.8 | 178.1 | 0 | 0 | 0 | 109.1 | S385 R388 L394 A395 I398 | S385-I390 WeakPolarHBondContact CB-O 3.36Å; S385-I390 PolarHBondContact O-N 3.34Å; S385-I390 VanDerWaalsContact O-N 3.13Å; S385-I390 PolarHBondContact OG-O 2.93Å; R388-I390 VanDerWaalsContact C-N 3.3Å; R388-I390 HydrophobicContact CB-CD1 4.13Å; R388-I390 HydrophobicContact CB-CG1 4.08Å; R388-I390 HydrophobicContact CB-CG2 4.36Å; R388-I390 PolarHBondContact O-N 2.83Å; I390-L394 HydrophobicContact CB-CD2 4.21Å; I390-L394 HydrophobicContact CD1-CG 4.25Å; I390-L394 HydrophobicContact CG2-CD2 4.22Å; I390-A395 HydrophobicContact CD1-CB 4.05Å; I390-A395 HydrophobicContact CG1-CB 4.26Å; I390-I398 HydrophobicContact CD1-CD1 3.46Å; I390-I398 VanDerWaalsContact CD1-CD1 3.46Å | ||
| 391 | D | 97.2 | Very high | 97.7 | Very high | 45 Ų | 45 | 42 Ų | 42 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | trans | -64.6 | 158.4 | 175.1 | 67 | 87.2 | 0 | 0 | 0 | 111.8 | T328 R393 L394 A395 | T328-D391 HydrophobicContact CG2-CB 4.03Å; D391-R393 VanDerWaalsContact C-N 3.26Å; D391-R393 PolarHBondContact O-N 2.98Å; D391-R393 WeakPolarHBondContact OD1-CA 2.93Å; D391-R393 VanDerWaalsContact OD1-CB 3.24Å; D391-R393 WeakPolarHBondContact OD1-CB 3.29Å; D391-R393 PolarHBondContact OD1-N 2.87Å; D391-L394 PolarHBondContact O-N 2.91Å; D391-L394 PolarHBondContact OD1-N 3.07Å; D391-A395 PolarHBondContact O-N 2.73Å | ||
| 392 | M | 98 | Very high | 97.7 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 4% | 0.044 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -29.2 | -178 | -76.9 | -74.4 | -73.4 | 0 | 0 | 112.9 | L333 L334 F378 I381 Y382 A396 | L333-M392 HydrophobicContact CD1-CG 3.96Å; L334-M392 WeakPolarHBondContact O-CB 3.33Å; L334-M392 WeakPolarHBondContact O-CG 3.24Å; F378-M392 HydrophobicContact CZ-CE 4.42Å; I381-M392 HydrophobicContact CG2-CE 3.76Å; I381-M392 HydrophobicContact CG2-SD 3.98Å; Y382-M392 VanDerWaalsContact CA-SD 3.59Å; Y382-M392 HydrophobicContact CD2-CE 4.16Å; Y382-M392 HydrophobicContact CD2-SD 3.84Å; Y382-M392 HydrophobicContact CG-SD 4.42Å; M392-A396 VanDerWaalsContact O-CB 3.31Å; M392-A396 WeakPolarHBondContact O-CB 3.27Å; M392-A396 PolarHBondContact O-N 2.88Å |
| 393 | R | 97.7 | Very high | 97.5 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.2 | -49.3 | 179.3 | -172.8 | -176.1 | -55.3 | -67.8 | -3.4 | 110 | E313 T324 P336 D337 D391 A395 A396 Y397 | E313-R393 IonicContact OE1-CZ 3.41Å; E313-R393 IonicContact OE1-NH1 3.53Å; E313-R393 IonicContact OE1-NH2 2.69Å; E313-R393 PolarHBondContact OE1-NH2 2.96Å; E313-R393 IonicContact OE2-CZ 3.47Å; E313-R393 IonicContact OE2-NH1 2.67Å; E313-R393 PolarHBondContact OE2-NH1 2.85Å; E313-R393 IonicContact OE2-NH2 3.48Å; E313-R393 PolarHBondContact OE2-NH2 3.16Å; E313-R393 VanDerWaalsContact OE2-NH2 3.07Å; T324-R393 HydrophobicContact CG2-CB 4.28Å; T324-R393 PolarHBondContact OG1-NE 3.44Å; T324-R393 PolarHBondContact OG1-NH2 2.94Å; P336-R393 HydrophobicContact CB-CB 4.16Å; P336-R393 HydrophobicContact CB-CG 4.23Å; D337-R393 IonicContact OD1-NH1 2.82Å; D391-R393 VanDerWaalsContact C-N 3.26Å; D391-R393 PolarHBondContact O-N 2.98Å; D391-R393 WeakPolarHBondContact OD1-CA 2.93Å; D391-R393 VanDerWaalsContact OD1-CB 3.24Å; D391-R393 WeakPolarHBondContact OD1-CB 3.29Å; D391-R393 PolarHBondContact OD1-N 2.87Å; R393-A395 VanDerWaalsContact C-N 3.32Å; R393-A395 PolarHBondContact O-N 3Å; R393-A396 WeakPolarHBondContact O-CB 3.42Å; R393-A396 PolarHBondContact O-N 3.26Å; R393-A396 VanDerWaalsContact O-N 3.16Å; R393-Y397 HydrophobicContact CG-CD2 4.13Å; R393-Y397 HydrophobicContact CG-CE2 3.89Å; R393-Y397 WeakPolarHBondContact O-CD2 3.48Å; R393-Y397 PolarHBondContact O-N 2.93Å |
| 394 | L | 97.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -39.8 | 175.8 | -176.2 | 55.5 | 0 | 0 | 0 | 111.9 | I14 E17 A18 K21 I390 D391 A396 Y397 I398 | I14-L394 HydrophobicContact CG2-CD1 4.05Å; E17-L394 HydrophobicContact CB-CD1 4.23Å; E17-L394 HydrophobicContact CG-CD1 4.03Å; E17-L394 HydrophobicContact CG-CD2 4.26Å; E17-L394 WeakPolarHBondContact OE1-CD2 3.41Å; A18-L394 HydrophobicContact CB-CD1 4.34Å; K21-L394 HydrophobicContact CD-CD2 4.4Å; I390-L394 HydrophobicContact CB-CD2 4.21Å; I390-L394 HydrophobicContact CD1-CG 4.25Å; I390-L394 HydrophobicContact CG2-CD2 4.22Å; D391-L394 PolarHBondContact O-N 2.91Å; D391-L394 PolarHBondContact OD1-N 3.07Å; L394-A396 PolarHBondContact O-N 3.05Å; L394-Y397 PolarHBondContact O-N 3.19Å; L394-I398 HydrophobicContact CG-CD1 4.27Å; L394-I398 VanDerWaalsContact O-CG1 3.27Å; L394-I398 WeakPolarHBondContact O-CG1 3.33Å; L394-I398 PolarHBondContact O-N 3.06Å |
| 395 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I381 L384 I390 D391 R393 Y397 I398 I399 | I381-A395 HydrophobicContact CG2-CB 3.99Å; L384-A395 HydrophobicContact CB-CB 4.38Å; L384-A395 HydrophobicContact CD2-CB 4.12Å; L384-A395 HydrophobicContact CG-CB 4.28Å; I390-A395 HydrophobicContact CD1-CB 4.05Å; I390-A395 HydrophobicContact CG1-CB 4.26Å; D391-A395 PolarHBondContact O-N 2.73Å; R393-A395 VanDerWaalsContact C-N 3.32Å; R393-A395 PolarHBondContact O-N 3Å; A395-Y397 VanDerWaalsContact C-N 3.33Å; A395-Y397 PolarHBondContact O-N 3.1Å; A395-I398 PolarHBondContact O-N 2.88Å; A395-I399 WeakPolarHBondContact O-CG1 3.5Å; A395-I399 PolarHBondContact O-N 3.34Å |
| 396 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I97 P336 V338 I381 M392 R393 L394 I399 G400 | I97-A396 HydrophobicContact CD1-CB 4.05Å; P336-A396 HydrophobicContact CG-CB 3.63Å; V338-A396 HydrophobicContact CG2-CB 3.88Å; I381-A396 HydrophobicContact CD1-CB 3.81Å; I381-A396 HydrophobicContact CG1-CB 4.38Å; I381-A396 HydrophobicContact CG2-CB 4.05Å; M392-A396 VanDerWaalsContact O-CB 3.31Å; M392-A396 WeakPolarHBondContact O-CB 3.27Å; M392-A396 PolarHBondContact O-N 2.88Å; R393-A396 WeakPolarHBondContact O-CB 3.42Å; R393-A396 PolarHBondContact O-N 3.26Å; R393-A396 VanDerWaalsContact O-N 3.16Å; L394-A396 PolarHBondContact O-N 3.05Å; A396-I399 PolarHBondContact O-N 3.5Å; A396-G400 PolarHBondContact O-N 3.15Å |
| 397 | Y | 98.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -41 | 176.8 | -85.2 | -125.5 | 0 | 0 | 0 | 111.9 | T11 I14 I15 W90 L93 V338 R393 L394 A395 G400 I401 | T11-Y397 HydrophobicContact CG2-CE1 4.21Å; I14-Y397 HydrophobicContact CB-CD1 3.69Å; I14-Y397 HydrophobicContact CB-CE1 3.71Å; I14-Y397 HydrophobicContact CB-CG 4.4Å; I14-Y397 HydrophobicContact CD1-CE1 4.37Å; I14-Y397 HydrophobicContact CG2-CD1 3.27Å; I14-Y397 HydrophobicContact CG2-CD2 4.13Å; I14-Y397 HydrophobicContact CG2-CE1 3.71Å; I14-Y397 HydrophobicContact CG2-CG 3.5Å; I14-Y397 VanDerWaalsContact CG2-CG 3.5Å; I15-Y397 HydrophobicContact CG1-CD1 3.93Å; I15-Y397 HydrophobicContact CG1-CE1 4.13Å; W90-Y397 PolarHBondContact NE1-OH 3.38Å; L93-Y397 HydrophobicContact CD1-CD1 3.59Å; L93-Y397 HydrophobicContact CD1-CD2 4.02Å; L93-Y397 HydrophobicContact CD1-CE1 3.41Å; L93-Y397 VanDerWaalsContact CD1-CE1 3.41Å; L93-Y397 HydrophobicContact CD1-CE2 3.86Å; L93-Y397 HydrophobicContact CD1-CG 3.91Å; L93-Y397 HydrophobicContact CD2-CD1 4.47Å; V338-Y397 HydrophobicContact CG1-CE2 4.37Å; V338-Y397 HydrophobicContact CG2-CD2 4.3Å; V338-Y397 HydrophobicContact CG2-CE2 4.09Å; R393-Y397 HydrophobicContact CG-CD2 4.13Å; R393-Y397 HydrophobicContact CG-CE2 3.89Å; R393-Y397 WeakPolarHBondContact O-CD2 3.48Å; R393-Y397 PolarHBondContact O-N 2.93Å; L394-Y397 PolarHBondContact O-N 3.19Å; A395-Y397 VanDerWaalsContact C-N 3.33Å; A395-Y397 PolarHBondContact O-N 3.1Å; Y397-G400 PolarHBondContact O-N 3.46Å; Y397-I401 WeakPolarHBondContact O-CG2 3.32Å; Y397-I401 PolarHBondContact O-N 3.41Å |
| 398 | I | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58 | -51.4 | 173.8 | -69.7 | 165.1 | 0 | 0 | 0 | 110.4 | A18 K21 L22 L384 I390 L394 A395 K402 | A18-I398 HydrophobicContact CB-CG1 3.83Å; K21-I398 HydrophobicContact CB-CD1 4.15Å; K21-I398 HydrophobicContact CD-CD1 3.98Å; L22-I398 HydrophobicContact CD1-CG2 4.36Å; L22-I398 HydrophobicContact CD2-CG2 3.73Å; L22-I398 HydrophobicContact CG-CG2 3.93Å; L384-I398 HydrophobicContact CD2-CB 3.9Å; L384-I398 HydrophobicContact CD2-CD1 4.33Å; L384-I398 HydrophobicContact CD2-CG2 3.66Å; I390-I398 HydrophobicContact CD1-CD1 3.46Å; I390-I398 VanDerWaalsContact CD1-CD1 3.46Å; L394-I398 HydrophobicContact CG-CD1 4.27Å; L394-I398 VanDerWaalsContact O-CG1 3.27Å; L394-I398 WeakPolarHBondContact O-CG1 3.33Å; L394-I398 PolarHBondContact O-N 3.06Å; A395-I398 PolarHBondContact O-N 2.88Å; I398-K402 VanDerWaalsContact O-CB 3.25Å; I398-K402 WeakPolarHBondContact O-CB 3.37Å; I398-K402 PolarHBondContact O-N 3.43Å |
| 399 | I | 98.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 19% | 0.185 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 179.1 | -64.2 | -57.9 | 0 | 0 | 0 | 111 | T380 I381 L384 A395 A396 I401 | T380-I399 HydrophobicContact CG2-CD1 3.74Å; T380-I399 HydrophobicContact CG2-CG1 4.14Å; T380-I399 HydrophobicContact CG2-CG2 4.42Å; I381-I399 HydrophobicContact CG1-CB 4.15Å; I381-I399 HydrophobicContact CG1-CG1 4.01Å; I381-I399 HydrophobicContact CG1-CG2 4.4Å; L384-I399 HydrophobicContact CD2-CD1 3.73Å; L384-I399 HydrophobicContact CD2-CG1 3.74Å; A395-I399 WeakPolarHBondContact O-CG1 3.5Å; A395-I399 PolarHBondContact O-N 3.34Å; A396-I399 PolarHBondContact O-N 3.5Å; I399-I401 PolarHBondContact O-N 2.73Å |
| 400 | G | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L93 G96 A396 Y397 | L93-G400 WeakPolarHBondContact O-CA 3.31Å; G96-G400 WeakPolarHBondContact CA-O 3.33Å; A396-G400 PolarHBondContact O-N 3.15Å; Y397-G400 PolarHBondContact O-N 3.46Å |
| 401 | I | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -86.7 | -24.6 | -177.4 | -154.5 | 60.2 | 0 | 0 | 0 | 113.7 | A18 L19 L22 I32 T92 L93 Y397 I399 R403 T404 A405 | A18-I401 HydrophobicContact CB-CG2 4.25Å; L19-I401 HydrophobicContact CD2-CG1 4.1Å; L19-I401 HydrophobicContact CD2-CG2 3.91Å; L19-I401 HydrophobicContact CG-CG2 4.32Å; L22-I401 HydrophobicContact CD1-CG2 3.84Å; I32-I401 HydrophobicContact CD1-CD1 4.16Å; I32-I401 HydrophobicContact CD1-CG1 4.01Å; I32-I401 HydrophobicContact CG2-CD1 3.65Å; I32-I401 HydrophobicContact CG2-CG1 4.02Å; T92-I401 HydrophobicContact CG2-CD1 3.86Å; L93-I401 HydrophobicContact CD2-CB 3.91Å; L93-I401 HydrophobicContact CD2-CD1 4.23Å; Y397-I401 WeakPolarHBondContact O-CG2 3.32Å; Y397-I401 PolarHBondContact O-N 3.41Å; I399-I401 PolarHBondContact O-N 2.73Å; I401-R403 VanDerWaalsContact C-N 3.34Å; I401-R403 PolarHBondContact O-N 2.9Å; I401-T404 HydrophobicContact CD1-CG2 4.44Å; I401-T404 WeakPolarHBondContact O-CB 3.38Å; I401-T404 PolarHBondContact O-N 2.93Å; I401-A405 PolarHBondContact O-N 3.45Å |
| 402 | K | 97.8 | Very high | 97.7 | Very high | 87 Ų | 87 | 44.1 Ų | 44.1 | 38% | 0.378 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -48.7 | -52.2 | -174.7 | 177.7 | 179 | 177 | -175.3 | 0 | 112.8 | L22 I398 T404 A405 E406 | L22-K402 HydrophobicContact CD1-CB 3.89Å; L22-K402 HydrophobicContact CD1-CG 4.46Å; L22-K402 HydrophobicContact CD2-CB 4.14Å; L22-K402 HydrophobicContact CD2-CD 4.07Å; L22-K402 HydrophobicContact CD2-CG 4.04Å; I398-K402 VanDerWaalsContact O-CB 3.25Å; I398-K402 WeakPolarHBondContact O-CB 3.37Å; I398-K402 PolarHBondContact O-N 3.43Å; K402-T404 VanDerWaalsContact C-N 3.31Å; K402-T404 PolarHBondContact O-N 3.49Å; K402-A405 PolarHBondContact O-N 2.82Å; K402-E406 WeakPolarHBondContact CE-OE1 3.5Å; K402-E406 HydrophobicContact CG-CG 4.37Å; K402-E406 IonicContact NZ-OE1 2.59Å; K402-E406 WeakPolarHBondContact O-CB 3.21Å; K402-E406 WeakPolarHBondContact O-CG 3.18Å; K402-E406 PolarHBondContact O-N 3.07Å |
| 403 | R | 95.5 | Very high | 97.5 | Very high | 79 Ų | 79 | 48.4 Ų | 48.4 | 30% | 0.298 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.9 | -35.8 | -176.8 | -171.9 | 174.4 | 172.5 | -162.4 | -10.5 | 112.3 | V66 N99 L100 I401 A407 | V66-R403 HydrophobicContact CG1-CG 4.47Å; V66-R403 HydrophobicContact CG2-CG 4.07Å; N99-R403 VanDerWaalsContact C-NH1 3.31Å; N99-R403 PolarHBondContact O-NH1 2.76Å; N99-R403 PolarHBondContact OD1-NH1 2.89Å; L100-R403 PolarHBondContact O-NH1 2.7Å; L100-R403 VanDerWaalsContact O-NH1 3.16Å; I401-R403 VanDerWaalsContact C-N 3.34Å; I401-R403 PolarHBondContact O-N 2.9Å; R403-A407 WeakPolarHBondContact O-CB 3.47Å; R403-A407 PolarHBondContact O-N 3.11Å |
| 404 | T | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.6 | -46.8 | 176.5 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | N63 T92 I401 K402 A407 A408 | N63-T404 HydrophobicContact CB-CG2 3.84Å; N63-T404 VanDerWaalsContact CG-CG2 3.41Å; N63-T404 VanDerWaalsContact OD1-CG2 3.29Å; N63-T404 WeakPolarHBondContact OD1-CG2 2.96Å; T92-T404 HydrophobicContact CG2-CG2 4.07Å; T92-T404 WeakPolarHBondContact CG2-OG1 3.21Å; I401-T404 HydrophobicContact CD1-CG2 4.44Å; I401-T404 WeakPolarHBondContact O-CB 3.38Å; I401-T404 PolarHBondContact O-N 2.93Å; K402-T404 VanDerWaalsContact C-N 3.31Å; K402-T404 PolarHBondContact O-N 3.49Å; T404-A407 PolarHBondContact O-N 2.69Å; T404-A408 WeakPolarHBondContact O-CB 3.19Å; T404-A408 PolarHBondContact O-N 3.29Å |
| 405 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L19 F24 M28 I32 I401 K402 A408 R409 | L19-A405 HydrophobicContact CD2-CB 3.82Å; F24-A405 HydrophobicContact CD1-CB 4.43Å; F24-A405 HydrophobicContact CD2-CB 3.93Å; F24-A405 HydrophobicContact CE1-CB 4.04Å; F24-A405 HydrophobicContact CE2-CB 3.5Å; F24-A405 HydrophobicContact CG-CB 4.39Å; F24-A405 HydrophobicContact CZ-CB 3.57Å; M28-A405 HydrophobicContact CE-CB 4.31Å; M28-A405 VanDerWaalsContact CE-O 3.24Å; M28-A405 WeakPolarHBondContact CE-O 3.36Å; M28-A405 HydrophobicContact CG-CB 4.05Å; M28-A405 HydrophobicContact SD-CB 3.89Å; I32-A405 HydrophobicContact CD1-CB 4.04Å; I401-A405 PolarHBondContact O-N 3.45Å; K402-A405 PolarHBondContact O-N 2.82Å; A405-A408 PolarHBondContact O-N 3.33Å; A405-R409 WeakPolarHBondContact O-CB 3.22Å; A405-R409 PolarHBondContact O-N 3.3Å |
| 406 | E | 97.7 | Very high | 96.7 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 174.6 | -72.9 | 175.4 | 172 | 0 | 0 | 111.5 | F24 K402 A408 R409 Y410 | F24-E406 HydrophobicContact CZ-CG 4.1Å; K402-E406 WeakPolarHBondContact CE-OE1 3.5Å; K402-E406 HydrophobicContact CG-CG 4.37Å; K402-E406 IonicContact NZ-OE1 2.59Å; K402-E406 WeakPolarHBondContact O-CB 3.21Å; K402-E406 WeakPolarHBondContact O-CG 3.18Å; K402-E406 PolarHBondContact O-N 3.07Å; E406-A408 PolarHBondContact O-N 3.4Å; E406-R409 PolarHBondContact O-N 2.81Å; E406-Y410 WeakPolarHBondContact O-CD2 3.07Å; E406-Y410 PolarHBondContact O-N 3.4Å |
| 407 | A | 98.2 | Very high | 96.6 | Very high | 21 Ų | 21 | 59 Ų | 59 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A65 V66 R403 T404 R409 Y410 R411 | A65-A407 HydrophobicContact CB-CB 3.85Å; V66-A407 HydrophobicContact CG2-CB 3.92Å; R403-A407 WeakPolarHBondContact O-CB 3.47Å; R403-A407 PolarHBondContact O-N 3.11Å; T404-A407 PolarHBondContact O-N 2.69Å; A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 3.45Å; A407-Y410 PolarHBondContact O-N 3.2Å; A407-R411 WeakPolarHBondContact O-CB 3.33Å; A407-R411 WeakPolarHBondContact O-CG 3.42Å; A407-R411 PolarHBondContact O-N 3.2Å |
| 408 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M28 L31 A65 T404 A405 E406 R411 G412 W413 | M28-A408 HydrophobicContact CE-CB 4.27Å; M28-A408 HydrophobicContact SD-CB 4.24Å; L31-A408 HydrophobicContact CD2-CB 3.99Å; A65-A408 HydrophobicContact CB-CB 4.07Å; T404-A408 WeakPolarHBondContact O-CB 3.19Å; T404-A408 PolarHBondContact O-N 3.29Å; A405-A408 PolarHBondContact O-N 3.33Å; E406-A408 PolarHBondContact O-N 3.4Å; A408-R411 CarbonylContact O-C 3.53Å; A408-R411 PolarHBondContact O-N 2.79Å; A408-G412 PolarHBondContact O-N 3.19Å; A408-G412 VanDerWaalsContact O-N 3.12Å; A408-W413 HydrophobicContact CB-CB 4.43Å; A408-W413 HydrophobicContact CB-CD2 4.48Å; A408-W413 HydrophobicContact CB-CE3 3.94Å; A408-W413 PolarHBondContact O-N 3.5Å |
| 409 | R | 96.7 | Very high | 96.4 | Very high | 168 Ų | 168 | 65.8 Ų | 65.8 | 63% | 0.634 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.7 | -47.4 | 175.1 | -175.1 | 177.7 | 177.9 | 178.9 | 2 | 112.4 | M28 A405 E406 A407 R411 G412 A414 | M28-R409 HydrophobicContact CE-CB 4.13Å; A405-R409 WeakPolarHBondContact O-CB 3.22Å; A405-R409 PolarHBondContact O-N 3.3Å; E406-R409 PolarHBondContact O-N 2.81Å; A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 3.45Å; R409-R411 PolarHBondContact O-N 2.92Å; R409-G412 PolarHBondContact O-N 3.42Å; R409-A414 WeakPolarHBondContact CA-O 3.32Å |
| 410 | Y | 97.5 | Very high | 96.3 | Very high | 214 Ų | 214 | 67.7 Ų | 67.7 | 84% | 0.839 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.7 | -28.6 | 177.1 | -84 | -67 | 0 | 0 | 0 | 113.1 | E406 A407 G412 | E406-Y410 WeakPolarHBondContact O-CD2 3.07Å; E406-Y410 PolarHBondContact O-N 3.4Å; A407-Y410 PolarHBondContact O-N 3.2Å; Y410-G412 VanDerWaalsContact C-N 3.31Å |
| 411 | R | 97.7 | Very high | 96.2 | Very high | 141 Ų | 141 | 72.6 Ų | 72.6 | 53% | 0.532 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3.8 | 172.8 | -72.3 | -171.6 | 173.1 | -174.6 | 5 | 114 | D64 A65 A407 A408 R409 W413 | D64-R411 PolarHBondContact O-NH1 3.35Å; A65-R411 PolarHBondContact O-NE 3.42Å; A65-R411 VanDerWaalsContact O-NE 3.15Å; A65-R411 PolarHBondContact O-NH1 2.91Å; A65-R411 PolarHBondContact O-NH2 2.82Å; A407-R411 WeakPolarHBondContact O-CB 3.33Å; A407-R411 WeakPolarHBondContact O-CG 3.42Å; A407-R411 PolarHBondContact O-N 3.2Å; A408-R411 CarbonylContact O-C 3.53Å; A408-R411 PolarHBondContact O-N 2.79Å; R409-R411 PolarHBondContact O-N 2.92Å; R411-W413 HydrophobicContact CB-CD2 4.48Å; R411-W413 HydrophobicContact CB-CG 4.46Å |
| 412 | G | 95.7 | Very high | 96.1 | Very high | 62 Ų | 62 | 78.2 Ų | 78.2 | 64% | 0.639 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 30.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A408 R409 Y410 | A408-G412 PolarHBondContact O-N 3.19Å; A408-G412 VanDerWaalsContact O-N 3.12Å; R409-G412 PolarHBondContact O-N 3.42Å; Y410-G412 VanDerWaalsContact C-N 3.31Å |
| 413 | W | 95.4 | Very high | 96 | Very high | 100 Ų | 100 | 77.4 Ų | 77.4 | 38% | 0.379 | 37% | 0.367 | S | S | . | . | trans | -87.1 | -31.1 | 178.2 | -59 | -5.6 | 0 | 0 | 0 | 113.1 | L31 L36 D64 A65 A408 R411 | L31-W413 HydrophobicContact CD2-CB 3.82Å; L31-W413 HydrophobicContact CD2-CE3 4.28Å; L36-W413 HydrophobicContact CD1-CH2 4.31Å; L36-W413 HydrophobicContact CD1-CZ3 4Å; D64-W413 WeakPolarHBondContact OD1-CH2 3.44Å; A65-W413 VanDerWaalsContact CA-CH2 3.42Å; A65-W413 HydrophobicContact CB-CE3 4.13Å; A65-W413 HydrophobicContact CB-CH2 3.8Å; A65-W413 HydrophobicContact CB-CZ3 3.48Å; A65-W413 VanDerWaalsContact CB-CZ3 3.48Å; A408-W413 HydrophobicContact CB-CB 4.43Å; A408-W413 HydrophobicContact CB-CD2 4.48Å; A408-W413 HydrophobicContact CB-CE3 3.94Å; A408-W413 PolarHBondContact O-N 3.5Å; R411-W413 HydrophobicContact CB-CD2 4.48Å; R411-W413 HydrophobicContact CB-CG 4.46Å | ||
| 414 | A | 83.5 | Confident | 96 | Very high | 66 Ų | 66 | 77.3 Ų | 77.3 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | trans | -149.1 | 0 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | M28 L31 R409 | M28-A414 HydrophobicContact CE-CB 3.67Å; M28-A414 HydrophobicContact SD-CB 4.16Å; L31-A414 HydrophobicContact CD2-CB 3.95Å; R409-A414 WeakPolarHBondContact CA-O 3.32Å |
Retrieved 414 of 414 residues in 170.6 ms
(Link to these results)